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

Systemtic Name: 3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 3-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2C3CC3)CC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2C3CC3)CC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S2/c1-29-14-6-7-16(17(11-14)25(27)28)21-19(26)8-10-31-20-23-22-18(24(20)13-4-5-13)12-15-3-2-9-30-15/h2-3,6-7,9,11,13H,4-5,8,10,12H2,1H3,(H,21,26)