1-[4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoyl]piperazino]ethanone Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4S/c1-11(23)20-5-7-21(8-6-20)15(24)12-3-4-14(13(9-12)22(25)26)27-16-18-17-10-19(16)2/h3-4,9-10H,5-8H2,1-2H3