4-cyclopropyl-5-methyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-5-methyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-methyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-methyl-2-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-methyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-methyl-2-[(4-nosylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C17H22N6O4S2 MolecularWeight: 438.52438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4S2/c1-13-18-21(17(28)22(13)14-2-3-14)12-19-8-10-20(11-9-19)29(26,27)16-6-4-15(5-7-16)23(24)25/h4-7,14H,2-3,8-12H2,1H3