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

Systemtic Name: 4-[[4-methyl-3-oxidanylidene-6-(2,4,6-trimethylphenyl)sulfanyl-pyrazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-methyl-3-oxo-6-(2,4,6-trimethylphenyl)sulfanyl-pyrazin-2-yl]amino]benzonitrile CAS Name: 4-[[4-methyl-3-oxo-6-[(2,4,6-trimethylphenyl)thio]-2-pyrazinyl]amino]benzonitrile IUPAC Name: 4-[[4-methyl-3-oxo-6-(2,4,6-trimethylphenyl)sulfanylpyrazin-2-yl]amino]benzonitrile Traditional Name: 4-[[3-keto-6-(mesitylthio)-4-methyl-pyrazin-2-yl]amino]benzonitrile Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC2=CN(C(=O)C(=N2)NC3=CC=C(C=C3)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC2=CN(C(=O)C(=N2)NC3=CC=C(C=C3)C#N)C)C

InChI

InChI=1S/C21H20N4OS/c1-13-9-14(2)19(15(3)10-13)27-18-12-25(4)21(26)20(24-18)23-17-7-5-16(11-22)6-8-17/h5-10,12H,1-4H3,(H,23,24)