1-phenyl-4-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C24H22N4OS/c29-22(20-10-5-2-6-11-20)12-7-17-30-24-27-26-23(21-13-15-25-16-14-21)28(24)18-19-8-3-1-4-9-19/h1-6,8-11,13-16H,7,12,17-18H2