2-[2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]-2,2-diphenyl-ethanoic acid

Systemtic Name: 2-[2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]-2,2-diphenyl-ethanoic acid Openeye Name: 2-[[2-[1-(1-naphthyl)tetrazol-5-yl]sulfanylacetyl]amino]-2,2-diphenyl-acetic acid CAS Name: 2-[[2-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-2,2-diphenylacetic acid IUPAC Name: 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]-2,2-diphenylacetic acid Traditional Name: 2-[[2-[[1-(1-naphthyl)tetrazol-5-yl]thio]acetyl]amino]-2,2-diphenyl-acetic acid Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)NC(=O)CSC3=NN=NN3C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)NC(=O)CSC3=NN=NN3C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H21N5O3S/c33-24(28-27(25(34)35,20-12-3-1-4-13-20)21-14-5-2-6-15-21)18-36-26-29-30-31-32(26)23-17-9-11-19-10-7-8-16-22(19)23/h1-17H,18H2,(H,28,33)(H,34,35)