1-(4-methylphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C17H17N3OS2 MolecularWeight: 343.46638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CC3=CC=CS3

InChI

InChI=1S/C17H17N3OS2/c1-12-5-7-13(8-6-12)15(21)11-23-17-19-18-16(20(17)2)10-14-4-3-9-22-14/h3-9H,10-11H2,1-2H3