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

Systemtic Name: 4-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 4-methylbenzoate Openeye Name: 4-[1-(p-tolyl)tetrazol-5-yl]sulfanylbut-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-[[1-(4-methylphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-[[1-(p-tolyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=NN2C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=NN2C3=CC=C(C=C3)C

InChI

InChI=1S/C20H18N4O2S/c1-15-5-9-17(10-6-15)19(25)26-13-3-4-14-27-20-21-22-23-24(20)18-11-7-16(2)8-12-18/h5-12H,13-14H2,1-2H3