2-(cyanomethyl)-2,4-bis(3-methylphenyl)-6-sulfanylidene-3H-1,3-thiazine-5-carbonitrile

Systemtic Name: 2-(cyanomethyl)-2,4-bis(3-methylphenyl)-6-sulfanylidene-3H-1,3-thiazine-5-carbonitrile Openeye Name: 2-(cyanomethyl)-2,4-bis(m-tolyl)-6-thioxo-3H-1,3-thiazine-5-carbonitrile CAS Name: 2-(cyanomethyl)-2,4-bis(3-methylphenyl)-6-sulfanylidene-3H-1,3-thiazine-5-carbonitrile IUPAC Name: 2-(cyanomethyl)-2,4-bis(3-methylphenyl)-6-sulfanylidene-3H-1,3-thiazine-5-carbonitrile Traditional Name: 2-(cyanomethyl)-2,4-bis(m-tolyl)-6-thioxo-3H-1,3-thiazine-5-carbonitrile Formula: C21H17N3S2 MolecularWeight: 375.50978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C(=S)SC(N2)(CC#N)C3=CC(=CC=C3)C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C(=S)SC(N2)(CC#N)C3=CC(=CC=C3)C)C#N

InChI

InChI=1S/C21H17N3S2/c1-14-5-3-7-16(11-14)19-18(13-23)20(25)26-21(24-19,9-10-22)17-8-4-6-15(2)12-17/h3-8,11-12,24H,9H2,1-2H3