methyl 3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxylate Openeye Name: methyl 3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)naphthalene-2-carboxylate CAS Name: 3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)naphthalene-2-carboxylate Traditional Name: 3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)naphthalene-2-carboxylic acid methyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C=C1C3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C=C1C3=NNC(=S)N3CC4=CC=CC=C4

InChI

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