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

Systemtic Name: 1-(2,5-dimethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(2,5-dimethylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(2,5-dimethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(2,5-dimethylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C17H17N3OS2 MolecularWeight: 343.46638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H17N3OS2/c1-10-6-7-11(2)13(9-10)15(21)12(3)23-17-18-16(19-20-17)14-5-4-8-22-14/h4-9,12H,1-3H3,(H,18,19,20)