1-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-propan-2-one

Systemtic Name: 1-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-propan-2-one Openeye Name: 1-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-propan-2-one CAS Name: 1-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-3-phenyl-2-propanone IUPAC Name: 1-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenylpropan-2-one Traditional Name: 1-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-3-phenyl-acetone Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)CC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)CC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-2-24-20(14-13-17-9-5-3-6-10-17)22-23-21(24)26-16-19(25)15-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3