2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2-bis(4-methylphenyl)ethanone

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2-bis(4-methylphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2-bis(p-tolyl)ethanone CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1,2-bis(4-methylphenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2-bis(4-methylphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1,2-bis(p-tolyl)ethanone Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SC(C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C)C4=CC=NC=C4

InChI

InChI=1S/C25H24N4OS/c1-4-29-24(21-13-15-26-16-14-21)27-28-25(29)31-23(20-11-7-18(3)8-12-20)22(30)19-9-5-17(2)6-10-19/h5-16,23H,4H2,1-3H3