3-(4-chlorophenyl)-5-(cyclopropylmethylsulfanyl)-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-5-(cyclopropylmethylsulfanyl)-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-5-(cyclopropylmethylsulfanyl)-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide CAS Name: 3-(4-chlorophenyl)-5-(cyclopropylmethylthio)-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide IUPAC Name: 3-(4-chlorophenyl)-5-(cyclopropylmethylsulfanyl)-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-5-(cyclopropylmethylthio)-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)SCC4CC4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)SCC4CC4

InChI

InChI=1S/C20H19ClN4OS/c1-24(17-5-3-2-4-6-17)20(26)25-19(27-13-14-7-8-14)22-18(23-25)15-9-11-16(21)12-10-15/h2-6,9-12,14H,7-8,13H2,1H3