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

Systemtic Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione Formula: C16H22N5O2S3+ MolecularWeight: 412.57318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2S3/c1-2-11-25-15-17-20(16(24)26-15)12-18-7-9-19(10-8-18)13-3-5-14(6-4-13)21(22)23/h3-6H,2,7-12H2,1H3/p+1