(2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one Openeye Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one CAS Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-ethylphenyl)-1-propanone IUPAC Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one Traditional Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-ethylphenyl)propan-1-one Formula: C17H21N3OS MolecularWeight: 315.43314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3CC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2C)C3CC3

InChI

InChI=1S/C17H21N3OS/c1-4-12-5-7-13(8-6-12)15(21)11(2)22-17-19-18-16(20(17)3)14-9-10-14/h5-8,11,14H,4,9-10H2,1-3H3/t11-/m0/s1