methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate Openeye Name: 1-cyano-3-(3,4-dimethylphenyl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate Traditional Name: 1-cyano-3-(3,4-dimethylphenyl)-2-methyl-isothiourea Formula: C11H13N3S MolecularWeight: 219.30602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3S/c1-8-4-5-10(6-9(8)2)14-11(15-3)13-7-12/h4-6H,1-3H3,(H,13,14)