3,6,6-trimethyl-7-phenylsulfanyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one

Systemtic Name: 3,6,6-trimethyl-7-phenylsulfanyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one Openeye Name: 3,6,6-trimethyl-7-phenylsulfanyl-1-(2-pyridyl)-5,7-dihydroindazol-4-one CAS Name: 3,6,6-trimethyl-7-(phenylthio)-1-(2-pyridinyl)-5,7-dihydroindazol-4-one IUPAC Name: 3,6,6-trimethyl-7-phenylsulfanyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one Traditional Name: 3,6,6-trimethyl-7-(phenylthio)-1-(2-pyridyl)-5,7-dihydroindazol-4-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)CC(C2SC3=CC=CC=C3)(C)C)C4=CC=CC=N4

Isomeric SMILES

CC1=NN(C2=C1C(=O)CC(C2SC3=CC=CC=C3)(C)C)C4=CC=CC=N4

InChI

InChI=1S/C21H21N3OS/c1-14-18-16(25)13-21(2,3)20(26-15-9-5-4-6-10-15)19(18)24(23-14)17-11-7-8-12-22-17/h4-12,20H,13H2,1-3H3