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

Systemtic Name: 5-hexylsulfanyl-N-methyl-3-(4-methylphenyl)-N-phenyl-1,2,4-triazole-1-carboxamide Openeye Name: 5-hexylsulfanyl-N-methyl-N-phenyl-3-(p-tolyl)-1,2,4-triazole-1-carboxamide CAS Name: 5-(hexylthio)-N-methyl-3-(4-methylphenyl)-N-phenyl-1,2,4-triazole-1-carboxamide IUPAC Name: 5-hexylsulfanyl-N-methyl-3-(4-methylphenyl)-N-phenyl-1,2,4-triazole-1-carboxamide Traditional Name: 5-(hexylthio)-N-methyl-N-phenyl-3-(p-tolyl)-1,2,4-triazole-1-carboxamide Formula: C23H28N4OS MolecularWeight: 408.55962

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-4-5-6-10-17-29-22-24-21(19-15-13-18(2)14-16-19)25-27(22)23(28)26(3)20-11-8-7-9-12-20/h7-9,11-16H,4-6,10,17H2,1-3H3