2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)N

InChI

InChI=1S/C18H18N6O3S/c1-2-23-17(12-5-3-6-13(19)9-12)21-22-18(23)28-11-16(25)20-14-7-4-8-15(10-14)24(26)27/h3-10H,2,11,19H2,1H3,(H,20,25)