(2-methylphenyl)methyl N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: (2-methylphenyl)methyl N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-(o-tolylmethyl)-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-(2-methylbenzyl)-3-phenyl-isothiourea Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC(=NC2=CC=CC=C2)NC#N

Isomeric SMILES

CC1=CC=CC=C1CSC(=NC2=CC=CC=C2)NC#N

InChI

InChI=1S/C16H15N3S/c1-13-7-5-6-8-14(13)11-20-16(18-12-17)19-15-9-3-2-4-10-15/h2-10H,11H2,1H3,(H,18,19)