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

Systemtic Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]naphthalene-1-carboxamide Openeye Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]naphthalene-1-carboxamide CAS Name: N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-1-naphthalenecarboxamide IUPAC Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]naphthalene-1-carboxamide Traditional Name: N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-1-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=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

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