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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3S/c1-2-22-17(13-7-4-3-5-8-13)20-21-18(22)27-12-16(24)19-14-9-6-10-15(11-14)23(25)26/h6,9-11,13H,2-5,7-8,12H2,1H3,(H,19,24)