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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN5O3S/c17-12-6-3-10(7-13(12)22(24)25)18-14(23)8-26-16-20-19-15(9-1-2-9)21(16)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,18,23)