N-(4-chloranyl-2-nitro-phenyl)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H12ClN5O4S MolecularWeight: 369.78348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN5O4S/c14-7-1-4-9(10(5-7)19(22)23)15-11(20)6-24-13-17-16-12(21)18(13)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,20)(H,16,21)