2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C18H22N6O4S MolecularWeight: 418.47008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C18H22N6O4S/c1-28-15-10-13(24(26)27)6-7-14(15)19-16(25)11-29-18-21-20-17(22-8-2-3-9-22)23(18)12-4-5-12/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,19,25)