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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H14ClN5O3S/c1-10(16(24)19-14-8-7-12(23(25)26)9-13(14)18)27-17-20-15(21-22-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,24)(H,20,21,22)