1-(3,4-dimethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dimethylphenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(3,4-dimethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dimethylphenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C16H21N3OS MolecularWeight: 303.42244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C(C)C)C

InChI

InChI=1S/C16H21N3OS/c1-9(2)15-17-16(19-18-15)21-12(5)14(20)13-7-6-10(3)11(4)8-13/h6-9,12H,1-5H3,(H,17,18,19)