2-[4-[4-[2-[[1-(2-chloranyl-4-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-nitro-phenyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[4-[2-[[1-(2-chloranyl-4-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-nitro-phenyl]phenyl]ethanoic acid Openeye Name: 2-[4-[4-[[2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-nitro-phenyl]phenyl]acetic acid CAS Name: 2-[4-[4-[[2-[[1-(2-chloro-4-methylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-nitrophenyl]phenyl]acetic acid IUPAC Name: 2-[4-[4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-nitrophenyl]phenyl]acetic acid Traditional Name: 2-[4-[4-[[2-[[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]thio]acetyl]amino]-3-nitro-phenyl]phenyl]acetic acid Formula: C24H19ClN6O5S MolecularWeight: 538.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CC=C(C=C4)CC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CC=C(C=C4)CC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H19ClN6O5S/c1-14-2-9-20(18(25)10-14)30-24(27-28-29-30)37-13-22(32)26-19-8-7-17(12-21(19)31(35)36)16-5-3-15(4-6-16)11-23(33)34/h2-10,12H,11,13H2,1H3,(H,26,32)(H,33,34)