N-[1-[4-[(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide

Systemtic Name: N-[1-[4-[(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide Openeye Name: N-[1-[4-(6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrazol-4-yl]pyridine-3-carboxamide CAS Name: N-[1-[4-[[6-(methylthio)-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]phenyl]-4-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[1-[4-(6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrazol-4-yl]pyridine-3-carboxamide Traditional Name: N-[1-[4-[6-(methylthio)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]pyrazol-4-yl]nicotinamide Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(CN(CC2)C(=O)C3=CC=C(C=C3)N4C=C(C=N4)NC(=O)C5=CN=CC=C5)C=C1

Isomeric SMILES

CSC1=CC2=C(CN(CC2)C(=O)C3=CC=C(C=C3)N4C=C(C=N4)NC(=O)C5=CN=CC=C5)C=C1

InChI

InChI=1S/C26H23N5O2S/c1-34-24-9-6-21-16-30(12-10-19(21)13-24)26(33)18-4-7-23(8-5-18)31-17-22(15-28-31)29-25(32)20-3-2-11-27-14-20/h2-9,11,13-15,17H,10,12,16H2,1H3,(H,29,32)