4-[[4-oxidanylidene-3-(phenylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-oxidanylidene-3-(phenylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-benzyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-oxo-3-(phenylmethyl)-2-pyrido[2,3-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(3-benzyl-4-keto-pyrido[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C22H16N4OS MolecularWeight: 384.45364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CC=C3)N=C2SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CC=C3)N=C2SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H16N4OS/c23-13-16-8-10-18(11-9-16)15-28-22-25-20-19(7-4-12-24-20)21(27)26(22)14-17-5-2-1-3-6-17/h1-12H,14-15H2