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

Systemtic Name: N-cyclohexyl-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3S/c1-2-22-17(13-8-10-15(11-9-13)23(25)26)20-21-18(22)27-12-16(24)19-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,19,24)