2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methyl-2-thienyl)ethanone CAS Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thiophenyl)ethanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thienyl)ethanone Formula: C20H23N3OS2 MolecularWeight: 385.54612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H23N3OS2/c1-13-6-11-17(26-13)16(24)12-25-19-22-21-18(23(19)5)14-7-9-15(10-8-14)20(2,3)4/h6-11H,12H2,1-5H3