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

Systemtic Name: methyl N-cyano-N'-(4-methylphenyl)carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(p-tolyl)isothiourea CAS Name: N-cyano-N'-(4-methylphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(4-methylphenyl)carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-(p-tolyl)isothiourea Formula: C10H11N3S MolecularWeight: 205.27944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3S/c1-8-3-5-9(6-4-8)13-10(14-2)12-7-11/h3-6H,1-2H3,(H,12,13)