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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H18ClN5O3S MolecularWeight: 431.89592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN5O3S/c1-3-24-17(13-7-5-4-6-8-13)22-23-19(24)29-12(2)18(26)21-16-11-14(25(27)28)9-10-15(16)20/h4-12H,3H2,1-2H3,(H,21,26)