methyl N-cyano-N'-(3-methylsulfanylphenyl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(3-methylsulfanylphenyl)carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(3-methylsulfanylphenyl)isothiourea CAS Name: N-cyano-N'-[3-(methylthio)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(3-methylsulfanylphenyl)carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[3-(methylthio)phenyl]isothiourea Formula: C10H11N3S2 MolecularWeight: 237.34444

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N=C(NC#N)SC

Isomeric SMILES

CSC1=CC=CC(=C1)N=C(NC#N)SC

InChI

InChI=1S/C10H11N3S2/c1-14-9-5-3-4-8(6-9)13-10(15-2)12-7-11/h3-6H,1-2H3,(H,12,13)