4-(4-methoxyphenyl)-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-2-benzylsulfanyl-4-(4-methoxyphenyl)-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(4-methoxyphenyl)-6-oxo-1-(phenylmethyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-2-benzylsulfanyl-4-(4-methoxyphenyl)-6-oxopyrimidine-5-carbonitrile Traditional Name: 1-benzyl-2-(benzylthio)-6-keto-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H21N3O2S/c1-31-22-14-12-21(13-15-22)24-23(16-27)25(30)29(17-19-8-4-2-5-9-19)26(28-24)32-18-20-10-6-3-7-11-20/h2-15H,17-18H2,1H3