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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitro-phenyl)acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-nitro-phenyl)acetamide Formula: C19H22ClN5O3S MolecularWeight: 435.92768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3CCCCC3

InChI

InChI=1S/C19H22ClN5O3S/c1-2-10-24-18(13-6-4-3-5-7-13)22-23-19(24)29-12-17(26)21-16-11-14(25(27)28)8-9-15(16)20/h2,8-9,11,13H,1,3-7,10,12H2,(H,21,26)