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

Systemtic Name: [3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]naphthalen-2-yl] ethanoate Openeye Name: [3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-2-naphthyl] acetate CAS Name: acetic acid [3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2-naphthalenyl] ester IUPAC Name: [3-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)naphthalen-2-yl] acetate Traditional Name: acetic acid [3-(4-benzyl-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:

CC(=O)OC1=CC2=CC=CC=C2C=C1C3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=CC2=CC=CC=C2C=C1C3=NNC(=S)N3CC4=CC=CC=C4

InChI

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