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

Systemtic Name: 3-(4-chlorophenyl)-5-hexylsulfanyl-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-5-hexylsulfanyl-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide CAS Name: 3-(4-chlorophenyl)-5-(hexylthio)-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide IUPAC Name: 3-(4-chlorophenyl)-5-hexylsulfanyl-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-5-(hexylthio)-N-methyl-N-phenyl-1,2,4-triazole-1-carboxamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=NN1C(=O)N(C)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCSC1=NC(=NN1C(=O)N(C)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4OS/c1-3-4-5-9-16-29-21-24-20(17-12-14-18(23)15-13-17)25-27(21)22(28)26(2)19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16H2,1-2H3