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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3CC3

InChI

InChI=1S/C16H16ClN5O3S/c1-2-7-21-15(10-3-4-10)19-20-16(21)26-9-14(23)18-13-6-5-11(22(24)25)8-12(13)17/h2,5-6,8,10H,1,3-4,7,9H2,(H,18,23)