methyl N-cyano-N'-[(2-methylphenyl)-pyridin-2-yl-methyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[(2-methylphenyl)-pyridin-2-yl-methyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[o-tolyl(2-pyridyl)methyl]isothiourea CAS Name: N-cyano-N'-[(2-methylphenyl)-(2-pyridinyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[(2-methylphenyl)-pyridin-2-ylmethyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[o-tolyl(2-pyridyl)methyl]isothiourea Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=N2)N=C(NC#N)SC

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=N2)N=C(NC#N)SC

InChI

InChI=1S/C16H16N4S/c1-12-7-3-4-8-13(12)15(14-9-5-6-10-18-14)20-16(21-2)19-11-17/h3-10,15H,1-2H3,(H,19,20)