2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-pyridylmethyl)acetamide CAS Name: 2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-pyridylmethyl)acetamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)CC(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)CC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C17H17N5OS/c23-16(19-11-13-6-8-18-9-7-13)10-15-20-21-17(24)22(15)12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,23)(H,21,24)