1-(4-ethylphenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethylphenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone CAS Name: 1-(4-ethylphenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)ethanone Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)ethanone Formula: C23H21N3OS2 MolecularWeight: 419.56234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H21N3OS2/c1-2-17-10-12-19(13-11-17)20(27)16-29-23-25-24-22(21-9-6-14-28-21)26(23)15-18-7-4-3-5-8-18/h3-14H,2,15-16H2,1H3