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

Systemtic Name: 2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-isopropylphenyl)ethanone CAS Name: 2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-p-cumenyl-ethanone Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4OS/c1-18(2)20-8-10-21(11-9-20)23(30)17-31-25-28-27-24(22-12-14-26-15-13-22)29(25)16-19-6-4-3-5-7-19/h3-15,18H,16-17H2,1-2H3