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5-[2-methyl-5-[[3-(3-oxidanylpropoxy)phenyl]amino]phenyl]-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile

5-[2-methyl-5-[[3-(3-oxidanylpropoxy)phenyl]amino]phenyl]-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile

Systemtic Name:5-[2-methyl-5-[[3-(3-oxidanylpropoxy)phenyl]amino]phenyl]-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile
Openeye Name:5-[5-[3-(3-hydroxypropoxy)anilino]-2-methyl-phenyl]-2-methylsulfanyl-4-(3-pyridyl)thiophene-3-carbonitrile
CAS Name:5-[5-[3-(3-hydroxypropoxy)anilino]-2-methylphenyl]-2-(methylthio)-4-(3-pyridinyl)-3-thiophenecarbonitrile
IUPAC Name:5-[5-[3-(3-hydroxypropoxy)anilino]-2-methylphenyl]-2-methylsulfanyl-4-pyridin-3-ylthiophene-3-carbonitrile
Traditional Name:5-[5-[3-(3-hydroxypropoxy)anilino]-2-methyl-phenyl]-2-(methylthio)-4-(3-pyridyl)thiophene-3-carbonitrile
Formula: C27H25N3O2S2
MolecularWeight: 487.6363
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=CC=C2)OCCCO)C3=C(C(=C(S3)SC)C#N)C4=CN=CC=C4


Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=CC=C2)OCCCO)C3=C(C(=C(S3)SC)C#N)C4=CN=CC=C4


InChI

InChI=1S/C27H25N3O2S2/c1-18-9-10-21(30-20-7-3-8-22(14-20)32-13-5-12-31)15-23(18)26-25(19-6-4-11-29-17-19)24(16-28)27(33-2)34-26/h3-4,6-11,14-15,17,30-31H,5,12-13H2,1-2H3


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