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

Systemtic Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C23H27N5O3S2/c1-16-9-10-18(28(30)31)14-20(16)24-22(29)11-13-33-23-26-25-21(15-19-8-5-12-32-19)27(23)17-6-3-2-4-7-17/h5,8-10,12,14,17H,2-4,6-7,11,13,15H2,1H3,(H,24,29)