2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C22H25N5O3S2/c1-15(21(28)23-16-9-11-18(12-10-16)27(29)30)32-22-25-24-20(14-19-8-5-13-31-19)26(22)17-6-3-2-4-7-17/h5,8-13,15,17H,2-4,6-7,14H2,1H3,(H,23,28)