2-methylsulfanyl-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-3-carboxamide Openeye Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridinecarboxamide IUPAC Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(methylthio)nicotinamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2CCCC3=C2C=NN3CC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2CCCC3=C2C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-27-21-16(9-6-12-22-21)20(26)24-18-10-5-11-19-17(18)13-23-25(19)14-15-7-3-2-4-8-15/h2-4,6-9,12-13,18H,5,10-11,14H2,1H3,(H,24,26)