N'-(2-bromophenyl)carbonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzohydrazide

Systemtic Name: N'-(2-bromophenyl)carbonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzohydrazide Openeye Name: N'-(2-bromobenzoyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzohydrazide CAS Name: N'-[(2-bromophenyl)-oxomethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzohydrazide IUPAC Name: N'-(2-bromobenzoyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzohydrazide Traditional Name: N'-(2-bromobenzoyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzohydrazide Formula: C17H13BrN6O4S MolecularWeight: 477.29192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN6O4S/c1-23-9-19-22-17(23)29-14-7-6-10(8-13(14)24(27)28)15(25)20-21-16(26)11-4-2-3-5-12(11)18/h2-9H,1H3,(H,20,25)(H,21,26)