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

Systemtic Name: 4-[[4-methyl-5,6-bis[(2-methylphenyl)sulfanyl]-3-oxidanylidene-pyrazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-methyl-5,6-bis(o-tolylsulfanyl)-3-oxo-pyrazin-2-yl]amino]benzonitrile CAS Name: 4-[[4-methyl-5,6-bis[(2-methylphenyl)thio]-3-oxo-2-pyrazinyl]amino]benzonitrile IUPAC Name: 4-[[4-methyl-5,6-bis[(2-methylphenyl)sulfanyl]-3-oxopyrazin-2-yl]amino]benzonitrile Traditional Name: 4-[[3-keto-4-methyl-5,6-bis(o-tolylthio)pyrazin-2-yl]amino]benzonitrile Formula: C26H22N4OS2 MolecularWeight: 470.60908

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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)C)SC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1SC2=C(N(C(=O)C(=N2)NC3=CC=C(C=C3)C#N)C)SC4=CC=CC=C4C

InChI

InChI=1S/C26H22N4OS2/c1-17-8-4-6-10-21(17)32-24-26(33-22-11-7-5-9-18(22)2)30(3)25(31)23(29-24)28-20-14-12-19(16-27)13-15-20/h4-15H,1-3H3,(H,28,29)