4-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-oxidanylidene-4-(phenylmethyl)pyrazin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-oxidanylidene-4-(phenylmethyl)pyrazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-benzyl-5-methyl-6-(o-tolylsulfanyl)-3-oxo-pyrazin-2-yl]amino]benzonitrile CAS Name: 4-[[5-methyl-6-[(2-methylphenyl)thio]-3-oxo-4-(phenylmethyl)-2-pyrazinyl]amino]benzonitrile IUPAC Name: 4-[[4-benzyl-5-methyl-6-(2-methylphenyl)sulfanyl-3-oxopyrazin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-benzyl-3-keto-5-methyl-6-(o-tolylthio)pyrazin-2-yl]amino]benzonitrile Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(N(C(=O)C(=N2)NC3=CC=C(C=C3)C#N)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1SC2=C(N(C(=O)C(=N2)NC3=CC=C(C=C3)C#N)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H22N4OS/c1-18-8-6-7-11-23(18)32-25-19(2)30(17-21-9-4-3-5-10-21)26(31)24(29-25)28-22-14-12-20(16-27)13-15-22/h3-15H,17H2,1-2H3,(H,28,29)