methyl 4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]benzoate

Systemtic Name: methyl 4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]benzoate Openeye Name: methyl 4-[4-[[2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chloro-phenyl]benzoate CAS Name: 4-[4-[[2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-chlorophenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chlorophenyl]benzoate Traditional Name: 4-[4-[[2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]acetyl]amino]-3-chloro-phenyl]benzoic acid methyl ester Formula: C27H25Cl2N5O3S MolecularWeight: 570.4901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)OC)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)OC)Cl)Cl

InChI

InChI=1S/C27H25Cl2N5O3S/c1-27(2,3)19-10-12-23(21(29)14-19)34-26(31-32-33-34)38-15-24(35)30-22-11-9-18(13-20(22)28)16-5-7-17(8-6-16)25(36)37-4/h5-14H,15H2,1-4H3,(H,30,35)