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

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dimethylphenyl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(3,4-dimethylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dimethylphenyl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CS3)C

InChI

InChI=1S/C18H19N3OS2/c1-11-7-8-14(10-12(11)2)16(22)13(3)24-18-20-19-17(21(18)4)15-6-5-9-23-15/h5-10,13H,1-4H3