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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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