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

Systemtic Name: 5-(2-methylprop-2-enylsulfanyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2-methylallylsulfanyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(2-methylprop-2-enylthio)-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2-methylprop-2-enylsulfanyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(2-methylallylthio)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C17H22N5O2S3+ MolecularWeight: 424.58388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2S3/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/h3-6H,1,7-12H2,2H3/p+1