[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CCCN1C(=C(C=N1)CN2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C21H29N3OS/c1-4-11-24-16(2)19(13-22-24)15-23-12-5-6-18(14-23)21(25)17-7-9-20(26-3)10-8-17/h7-10,13,18H,4-6,11-12,14-15H2,1-3H3/t18-/m0/s1