3-(methylsulfanylmethyl)-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide Openeye Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(methylsulfanylmethyl)benzamide CAS Name: 3-[(methylthio)methyl]-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide IUPAC Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(methylsulfanylmethyl)benzamide Traditional Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(methylthio)methyl]benzamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NC2CCCC3=C2C=NN3CC4=CC=CC=C4

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NC2CCCC3=C2C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-28-16-18-9-5-10-19(13-18)23(27)25-21-11-6-12-22-20(21)14-24-26(22)15-17-7-3-2-4-8-17/h2-5,7-10,13-14,21H,6,11-12,15-16H2,1H3,(H,25,27)