N-(3-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(3-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: N-(3-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(3-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c1-12(2)28-16-8-3-5-13(9-16)18-21-19(23-22-18)29-11-17(25)20-14-6-4-7-15(10-14)24(26)27/h3-10,12H,11H2,1-2H3,(H,20,25)(H,21,22,23)