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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C15H19N5O4S MolecularWeight: 365.40746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)N1C=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C15H19N5O4S/c1-9(2)19-8-16-18-15(19)25-10(3)14(21)17-12-7-11(20(22)23)5-6-13(12)24-4/h5-10H,1-4H3,(H,17,21)