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

Systemtic Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(allylamino)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(allylamino)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C16H21N6O2S2+ MolecularWeight: 393.50694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O2S2/c1-2-7-17-15-18-21(16(25)26-15)12-19-8-10-20(11-9-19)13-3-5-14(6-4-13)22(23)24/h2-6H,1,7-12H2,(H,17,18)/p+1