4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl thiophene-2-carboxylate

Systemtic Name: 4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl thiophene-2-carboxylate Openeye Name: 4-[1-(o-tolyl)tetrazol-5-yl]sulfanylbut-2-ynyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 4-[[1-(2-methylphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 4-[[1-(o-tolyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C17H14N4O2S2 MolecularWeight: 370.44866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC=CS3

InChI

InChI=1S/C17H14N4O2S2/c1-13-7-2-3-8-14(13)21-17(18-19-20-21)25-11-5-4-10-23-16(22)15-9-6-12-24-15/h2-3,6-9,12H,10-11H2,1H3