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

Systemtic Name: 1-(4-ethylphenyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone CAS Name: 1-(4-ethylphenyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)ethanone Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)ethanone Formula: C24H22N4OS MolecularWeight: 414.52268

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4OS/c1-2-18-8-10-20(11-9-18)22(29)17-30-24-27-26-23(21-12-14-25-15-13-21)28(24)16-19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3