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

Systemtic Name: 4-(2,3-dimethylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dimethylphenyl)-3-[4-(1-piperidylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dimethylphenyl)-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dimethylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dimethylphenyl)-3-(4-piperidinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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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)N4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C21H24N4O2S2/c1-15-7-6-8-19(16(15)2)25-20(22-23-21(25)28)17-9-11-18(12-10-17)29(26,27)24-13-4-3-5-14-24/h6-12H,3-5,13-14H2,1-2H3,(H,23,28)