methyl 4-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(3-acetamidophenyl)-5-tetrazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(3-acetamidophenyl)tetrazol-5-yl]thio]methyl]benzoic acid methyl ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H17N5O3S/c1-12(24)19-15-4-3-5-16(10-15)23-18(20-21-22-23)27-11-13-6-8-14(9-7-13)17(25)26-2/h3-10H,11H2,1-2H3,(H,19,24)