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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-phenyl-propan-1-one Formula: C20H21N3OS MolecularWeight: 351.46524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-3-23-18(14-16-10-6-4-7-11-16)21-22-20(23)25-15(2)19(24)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3