4-azanyl-2-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[1-(3-chlorophenyl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(3-chlorophenyl)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carbonitrile Formula: C14H11ClN4OS MolecularWeight: 318.78134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C14H11ClN4OS/c1-8(12(20)9-3-2-4-11(15)5-9)21-14-18-7-10(6-16)13(17)19-14/h2-5,7-8H,1H3,(H2,17,18,19)