3-methyl-5-[(4-methylphenyl)amino]-7-phenylazanyl-1,4-thiazepine-6-carbonitrile

Systemtic Name: 3-methyl-5-[(4-methylphenyl)amino]-7-phenylazanyl-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-3-methyl-5-(4-methylanilino)-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-3-methyl-5-(4-methylanilino)-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-3-methyl-5-(4-methylanilino)-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-3-methyl-5-(p-toluidino)-1,4-thiazepine-6-carbonitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C

InChI

InChI=1S/C20H18N4S/c1-14-8-10-17(11-9-14)23-19-18(12-21)20(25-13-15(2)22-19)24-16-6-4-3-5-7-16/h3-11,13,24H,1-2H3,(H,22,23)