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

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)butan-1-one Formula: C19H19N3OS2 MolecularWeight: 369.50366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C19H19N3OS2/c23-16(17-9-5-12-24-17)8-4-13-25-19-21-20-18(14-10-11-14)22(19)15-6-2-1-3-7-15/h1-3,5-7,9,12,14H,4,8,10-11,13H2