N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1-naphthamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O2S/c1-27-18-12-5-4-11-17(18)25-19(23-24-21(25)28)13-22-20(26)16-10-6-8-14-7-2-3-9-15(14)16/h2-12H,13H2,1H3,(H,22,26)(H,24,28)