4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H24N6O4S MolecularWeight: 432.49666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCN3CCCCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCN3CCCCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O4S/c1-23-13-21-22-19(23)30-16-8-7-14(12-15(16)25(28)29)18(27)20-9-5-11-24-10-4-2-3-6-17(24)26/h7-8,12-13H,2-6,9-11H2,1H3,(H,20,27)