4-(2,3-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,3-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dimethylphenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dimethylphenyl)-3-(4-pyrrolidinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C20H22N4O2S2/c1-14-6-5-7-18(15(14)2)24-19(21-22-20(24)27)16-8-10-17(11-9-16)28(25,26)23-12-3-4-13-23/h5-11H,3-4,12-13H2,1-2H3,(H,22,27)