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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H22ClN5O3S MolecularWeight: 423.91698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O3S/c1-2-23-17(12-6-4-3-5-7-12)21-22-18(23)28-11-16(25)20-13-8-9-14(19)15(10-13)24(26)27/h8-10,12H,2-7,11H2,1H3,(H,20,25)