2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-pyridylmethyl)phenyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[4-(4-pyridylmethyl)phenyl]acetamide Formula: C16H16N6OS MolecularWeight: 340.40284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C16H16N6OS/c17-15-20-16(22-21-15)24-10-14(23)19-13-3-1-11(2-4-13)9-12-5-7-18-8-6-12/h1-8H,9-10H2,(H,19,23)(H3,17,20,21,22)