naphthalen-2-yl 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: naphthalen-2-yl 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-naphthyl 2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-naphthyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17N3O2S/c1-15-6-9-18(10-7-15)24-14-22-23-21(24)27-13-20(25)26-19-11-8-16-4-2-3-5-17(16)12-19/h2-12,14H,13H2,1H3