5-phenyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-phenyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-besylpiperazino)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O2S2/c25-28(26,17-9-5-2-6-10-17)23-13-11-22(12-14-23)15-24-19(27)20-18(21-24)16-7-3-1-4-8-16/h1-10H,11-15H2,(H,20,21,27)