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

Systemtic Name: 2-methyl-1-[4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoyl]piperazino]propan-1-one Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O4S/c1-12(2)16(25)22-6-8-23(9-7-22)17(26)13-4-5-15(14(10-13)24(27)28)29-18-20-19-11-21(18)3/h4-5,10-12H,6-9H2,1-3H3