3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide

Systemtic Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide Traditional Name: 3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)propionamide Formula: C19H19N5O4S MolecularWeight: 413.45026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c1-28-13-17-21-22-19(23(17)15-7-3-2-4-8-15)29-11-10-18(25)20-14-6-5-9-16(12-14)24(26)27/h2-9,12H,10-11,13H2,1H3,(H,20,25)