N-(2-nitrophenyl)-2-[(1-quinolin-5-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-nitrophenyl)-2-[(1-quinolin-5-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(2-nitrophenyl)-2-[1-(5-quinolyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-(2-nitrophenyl)-2-[[1-(5-quinolinyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-(1-quinolin-5-yltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(2-nitrophenyl)-2-[[1-(5-quinolyl)tetrazol-5-yl]thio]acetamide Formula: C18H13N7O3S MolecularWeight: 407.40592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N7O3S/c26-17(20-14-6-1-2-8-16(14)25(27)28)11-29-18-21-22-23-24(18)15-9-3-7-13-12(15)5-4-10-19-13/h1-10H,11H2,(H,20,26)