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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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