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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H19N5O4S/c1-12(18(25)20-15-6-4-5-7-16(15)24(26)27)29-19-22-21-17(23(19)2)13-8-10-14(28-3)11-9-13/h4-12H,1-3H3,(H,20,25)