N-[(4-acetamidophenyl)methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[(4-acetamidophenyl)methyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-[(4-acetamidophenyl)methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-acetamidobenzyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C16H21N5O2S MolecularWeight: 347.43524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NCC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NCC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C16H21N5O2S/c1-3-4-14-19-20-16(24)21(14)10-15(23)17-9-12-5-7-13(8-6-12)18-11(2)22/h5-8H,3-4,9-10H2,1-2H3,(H,17,23)(H,18,22)(H,20,24)