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

Systemtic Name: 5-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-methyl-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C14H18N5O2S2+ MolecularWeight: 352.45502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O2S2/c1-11-15-18(14(22)23-11)10-16-6-8-17(9-7-16)12-2-4-13(5-3-12)19(20)21/h2-5H,6-10H2,1H3/p+1