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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H18ClN5O3S MolecularWeight: 395.86382

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3CC3

InChI

InChI=1S/C16H18ClN5O3S/c1-3-21-14(10-4-5-10)19-20-16(21)26-9(2)15(23)18-13-7-6-11(22(24)25)8-12(13)17/h6-10H,3-5H2,1-2H3,(H,18,23)