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

Systemtic Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3S/c1-25-20(15-9-11-16(12-10-15)26(28)29)23-24-21(25)30-13-19(27)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3,(H,22,27)