methyl N'-(4-cyanophenyl)-N-phenyl-carbamimidothioate

Systemtic Name: methyl N'-(4-cyanophenyl)-N-phenyl-carbamimidothioate Openeye Name: 3-(4-cyanophenyl)-2-methyl-1-phenyl-isothiourea CAS Name: N'-(4-cyanophenyl)-N-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-cyanophenyl)-N-phenylcarbamimidothioate Traditional Name: 3-(4-cyanophenyl)-2-methyl-1-phenyl-isothiourea Formula: C15H13N3S MolecularWeight: 267.34882

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=C(C=C1)C#N)NC2=CC=CC=C2

Isomeric SMILES

CSC(=NC1=CC=C(C=C1)C#N)NC2=CC=CC=C2

InChI

InChI=1S/C15H13N3S/c1-19-15(17-13-5-3-2-4-6-13)18-14-9-7-12(11-16)8-10-14/h2-10H,1H3,(H,17,18)