2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2-thienyl)ethanone CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thiophenyl)ethanone IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(5-methyl-2-thienyl)ethanone Formula: C19H19N3OS2 MolecularWeight: 369.50366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1=CC=C(S1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C19H19N3OS2/c1-13-7-10-17(25-13)16(23)12-24-19-21-20-18(15-8-9-15)22(19)11-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-12H2,1H3