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

Systemtic Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]naphthalene-2-carboxamide Openeye Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]naphthalene-2-carboxamide CAS Name: N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-2-naphthalenecarboxamide IUPAC Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]naphthalene-2-carboxamide Traditional Name: N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-2-naphthamide Formula: C21H18N4OS MolecularWeight: 374.45882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

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