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4-(3-chlorophenyl)-2-[(4-hydroxyphenyl)methylsulfanyl]-5-(5-methyl-2-phenylazanyl-pyrimidin-4-yl)thiophene-3-carbonitrile

4-(3-chlorophenyl)-2-[(4-hydroxyphenyl)methylsulfanyl]-5-(5-methyl-2-phenylazanyl-pyrimidin-4-yl)thiophene-3-carbonitrile

Systemtic Name:4-(3-chlorophenyl)-2-[(4-hydroxyphenyl)methylsulfanyl]-5-(5-methyl-2-phenylazanyl-pyrimidin-4-yl)thiophene-3-carbonitrile
Openeye Name:5-(2-anilino-5-methyl-pyrimidin-4-yl)-4-(3-chlorophenyl)-2-[(4-hydroxyphenyl)methylsulfanyl]thiophene-3-carbonitrile
CAS Name:5-(2-anilino-5-methyl-4-pyrimidinyl)-4-(3-chlorophenyl)-2-[(4-hydroxyphenyl)methylthio]-3-thiophenecarbonitrile
IUPAC Name:5-(2-anilino-5-methylpyrimidin-4-yl)-4-(3-chlorophenyl)-2-[(4-hydroxyphenyl)methylsulfanyl]thiophene-3-carbonitrile
Traditional Name:5-(2-anilino-5-methyl-pyrimidin-4-yl)-4-(3-chlorophenyl)-2-[(4-hydroxybenzyl)thio]thiophene-3-carbonitrile
Formula: C29H21ClN4OS2
MolecularWeight: 541.08624
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=C(C(=C(S2)SCC3=CC=C(C=C3)O)C#N)C4=CC(=CC=C4)Cl)NC5=CC=CC=C5


Isomeric SMILES

CC1=CN=C(N=C1C2=C(C(=C(S2)SCC3=CC=C(C=C3)O)C#N)C4=CC(=CC=C4)Cl)NC5=CC=CC=C5


InChI

InChI=1S/C29H21ClN4OS2/c1-18-16-32-29(33-22-8-3-2-4-9-22)34-26(18)27-25(20-6-5-7-21(30)14-20)24(15-31)28(37-27)36-17-19-10-12-23(35)13-11-19/h2-14,16,35H,17H2,1H3,(H,32,33,34)


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