4-butyl-3-[4-(4-chlorophenyl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-butyl-3-[4-(4-chlorophenyl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-[4-(4-chlorophenyl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-[4-(4-chlorophenyl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-[4-(4-chlorophenyl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-[4-(4-chlorophenyl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S2/c1-2-3-12-22-17(20-21-18(22)25)13-4-8-15(9-5-13)26(23,24)16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,21,25)