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

Systemtic Name: 4-(3-methylsulfanylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-methylsulfanylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[3-(methylthio)phenyl]-3-tridecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-methylsulfanylphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[3-(methylthio)phenyl]-3-tridecyl-1H-1,2,4-triazole-5-thione Formula: C22H35N3S2 MolecularWeight: 405.6634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3S2/c1-3-4-5-6-7-8-9-10-11-12-13-17-21-23-24-22(26)25(21)19-15-14-16-20(18-19)27-2/h14-16,18H,3-13,17H2,1-2H3,(H,24,26)