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

Systemtic Name: methyl 2-[4-[4-[2-[[1-(2-chloranyl-4-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-nitro-phenyl]phenyl]ethanoate Openeye Name: methyl 2-[4-[4-[[2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-nitro-phenyl]phenyl]acetate CAS Name: 2-[4-[4-[[2-[[1-(2-chloro-4-methylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-nitrophenyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-nitrophenyl]phenyl]acetate Traditional Name: 2-[4-[4-[[2-[[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]thio]acetyl]amino]-3-nitro-phenyl]phenyl]acetic acid methyl ester Formula: C25H21ClN6O5S MolecularWeight: 552.98944

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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)OC)[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)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H21ClN6O5S/c1-15-3-10-21(19(26)11-15)31-25(28-29-30-31)38-14-23(33)27-20-9-8-18(13-22(20)32(35)36)17-6-4-16(5-7-17)12-24(34)37-2/h3-11,13H,12,14H2,1-2H3,(H,27,33)