methyl N'-(4-cyanophenyl)-N-(3-methylphenyl)carbamimidothioate

Systemtic Name: methyl N'-(4-cyanophenyl)-N-(3-methylphenyl)carbamimidothioate Openeye Name: 3-(4-cyanophenyl)-2-methyl-1-(m-tolyl)isothiourea CAS Name: N'-(4-cyanophenyl)-N-(3-methylphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-cyanophenyl)-N-(3-methylphenyl)carbamimidothioate Traditional Name: 3-(4-cyanophenyl)-2-methyl-1-(m-tolyl)isothiourea Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2=CC=C(C=C2)C#N)SC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NC2=CC=C(C=C2)C#N)SC

InChI

InChI=1S/C16H15N3S/c1-12-4-3-5-15(10-12)19-16(20-2)18-14-8-6-13(11-17)7-9-14/h3-10H,1-2H3,(H,18,19)