N-(2,3-dihydro-1H-inden-5-yl)-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-indan-5-yl-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[(1-phenyl-4-pyrazolyl)methylthio]propanamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-indan-5-yl-2-[(1-phenylpyrazol-4-yl)methylthio]propionamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)SCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(CCC2)C=C1)SCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-16(22(26)24-20-11-10-18-6-5-7-19(18)12-20)27-15-17-13-23-25(14-17)21-8-3-2-4-9-21/h2-4,8-14,16H,5-7,15H2,1H3,(H,24,26)