3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C17H17N3OS2 MolecularWeight: 343.46638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C17H17N3OS2/c1-12(21)13(2)23-17-19-18-16(15-9-6-10-22-15)20(17)11-14-7-4-3-5-8-14/h3-10,13H,11H2,1-2H3