4-(3-methylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-methylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(m-tolyl)-3-tridecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-methylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-methylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(m-tolyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Formula: C22H35N3S MolecularWeight: 373.5984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=CC(=C2)C

Isomeric SMILES

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=CC(=C2)C

InChI

InChI=1S/C22H35N3S/c1-3-4-5-6-7-8-9-10-11-12-13-17-21-23-24-22(26)25(21)20-16-14-15-19(2)18-20/h14-16,18H,3-13,17H2,1-2H3,(H,24,26)