4-[[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-ethyl-1-methyl-5-(m-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-ethyl-6-keto-1-methyl-5-(3-methylbenzyl)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(C(=N1)SCC2=CC=C(C=C2)C#N)C)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=C(C(=O)N(C(=N1)SCC2=CC=C(C=C2)C#N)C)CC3=CC=CC(=C3)C

InChI

InChI=1S/C23H23N3OS/c1-4-21-20(13-19-7-5-6-16(2)12-19)22(27)26(3)23(25-21)28-15-18-10-8-17(14-24)9-11-18/h5-12H,4,13,15H2,1-3H3