5-(tert-butylamino)-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(tert-butylamino)-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(tert-butylamino)-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(tert-butylamino)-3-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(tert-butylamino)-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(tert-butylamino)-3-[(4-nosylpiperazino)methyl]-1,3,4-thiadiazole-2-thione Formula: C17H24N6O4S3 MolecularWeight: 472.60526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N6O4S3/c1-17(2,3)18-15-19-22(16(28)29-15)12-20-8-10-21(11-9-20)30(26,27)14-6-4-13(5-7-14)23(24)25/h4-7H,8-12H2,1-3H3,(H,18,19)