methyl N-(4-cyanophenyl)-N'-(2-methylphenyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC2=CC=C(C=C2)C#N)SC

Isomeric SMILES

CC1=CC=CC=C1N=C(NC2=CC=C(C=C2)C#N)SC

InChI

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