[3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)naphthalen-2-yl] benzoate

Systemtic Name: [3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)naphthalen-2-yl] benzoate Openeye Name: [3-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-2-naphthyl] benzoate CAS Name: benzoic acid [3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-naphthalenyl] ester IUPAC Name: [3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)naphthalen-2-yl] benzoate Traditional Name: benzoic acid [3-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-2-naphthyl] ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S/c1-2-24-19(22-23-21(24)27)17-12-15-10-6-7-11-16(15)13-18(17)26-20(25)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,23,27)