N-phenyl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: N-phenyl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: N-phenyl-4-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: N-phenyl-4-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: N-phenyl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: N-phenyl-4-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C21H18N4OS2/c26-20(22-17-5-2-1-3-6-17)16-10-8-15(9-11-16)14-28-21-23-19(24-25-21)13-18-7-4-12-27-18/h1-12H,13-14H2,(H,22,26)(H,23,24,25)