1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C15H20N6O4S2 MolecularWeight: 412.4871

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O4S2/c1-3-14-16-15(18-17-14)26-13-5-4-11(10-12(13)21(22)23)27(24,25)20-8-6-19(2)7-9-20/h4-5,10H,3,6-9H2,1-2H3,(H,16,17,18)