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

Systemtic Name: N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1-naphthamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N4OS/c1-14-6-4-9-16(12-14)25-19(23-24-21(25)27)13-22-20(26)18-11-5-8-15-7-2-3-10-17(15)18/h2-12H,13H2,1H3,(H,22,26)(H,24,27)