methyl 4-[2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(1-naphthyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(1-naphthyl)tetrazol-5-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H17N5O3S MolecularWeight: 419.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H17N5O3S/c1-29-20(28)15-9-11-16(12-10-15)22-19(27)13-30-21-23-24-25-26(21)18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3,(H,22,27)