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

Systemtic Name: 3-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)propanamide CAS Name: 3-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)propanamide Traditional Name: 3-[[1-(1-naphthyl)tetrazol-5-yl]thio]-N-(2-nitrophenyl)propionamide Formula: C20H16N6O3S MolecularWeight: 420.44444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O3S/c27-19(21-16-9-3-4-10-18(16)26(28)29)12-13-30-20-22-23-24-25(20)17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2,(H,21,27)