methyl N-(3-chlorophenyl)-N'-(4-cyanophenyl)carbamimidothioate

Systemtic Name: methyl N-(3-chlorophenyl)-N'-(4-cyanophenyl)carbamimidothioate Openeye Name: 1-(3-chlorophenyl)-3-(4-cyanophenyl)-2-methyl-isothiourea CAS Name: N-(3-chlorophenyl)-N'-(4-cyanophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(3-chlorophenyl)-N'-(4-cyanophenyl)carbamimidothioate Traditional Name: 1-(3-chlorophenyl)-3-(4-cyanophenyl)-2-methyl-isothiourea Formula: C15H12ClN3S MolecularWeight: 301.79388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3S/c1-20-15(19-14-4-2-3-12(16)9-14)18-13-7-5-11(10-17)6-8-13/h2-9H,1H3,(H,18,19)