1-[4-[3-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone

Systemtic Name: 1-[4-[3-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[4-(3-isobutyl-5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]ethanone CAS Name: 1-[4-[3-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[4-[3-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Traditional Name: 1-[4-(3-isobutyl-5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]ethanone Formula: C14H17N3OS MolecularWeight: 275.36928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=S)N1C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C)CC1=NNC(=S)N1C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C14H17N3OS/c1-9(2)8-13-15-16-14(19)17(13)12-6-4-11(5-7-12)10(3)18/h4-7,9H,8H2,1-3H3,(H,16,19)