5-(2-methylpropylsulfanyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(2-methylpropylsulfanyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-isobutylsulfanyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(2-methylpropylthio)-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2-methylpropylsulfanyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(isobutylthio)-3-[[4-(4-nitrophenyl)piperazino]methyl]-1,3,4-thiadiazole-2-thione Formula: C17H23N5O2S3 MolecularWeight: 425.59182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN(C(=S)S1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=NN(C(=S)S1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O2S3/c1-13(2)11-26-16-18-21(17(25)27-16)12-19-7-9-20(10-8-19)14-3-5-15(6-4-14)22(23)24/h3-6,13H,7-12H2,1-2H3