4-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(p-tolyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(p-tolyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=CS4

InChI

InChI=1S/C21H18N4OS2/c1-14-4-10-17(11-5-14)25-20(18-3-2-12-27-18)23-24-21(25)28-13-15-6-8-16(9-7-15)19(22)26/h2-12H,13H2,1H3,(H2,22,26)