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

Systemtic Name: methyl 3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)naphthalene-2-carboxylate Openeye Name: methyl 3-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)naphthalene-2-carboxylate CAS Name: 3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)naphthalene-2-carboxylate Traditional Name: 3-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)naphthalene-2-carboxylic acid methyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2C(=O)OC

Isomeric SMILES

CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2C(=O)OC

InChI

InChI=1S/C16H15N3O2S/c1-3-19-14(17-18-16(19)22)12-8-10-6-4-5-7-11(10)9-13(12)15(20)21-2/h4-9H,3H2,1-2H3,(H,18,22)