4-[5-(3-methylphenyl)-3-piperidin-4-ylsulfanyl-1H-pyrazol-4-yl]pyrimidine

Systemtic Name: 4-[5-(3-methylphenyl)-3-piperidin-4-ylsulfanyl-1H-pyrazol-4-yl]pyrimidine Openeye Name: 4-[5-(m-tolyl)-3-(4-piperidylsulfanyl)-1H-pyrazol-4-yl]pyrimidine CAS Name: 4-[5-(3-methylphenyl)-3-(4-piperidinylthio)-1H-pyrazol-4-yl]pyrimidine IUPAC Name: 4-[5-(3-methylphenyl)-3-piperidin-4-ylsulfanyl-1H-pyrazol-4-yl]pyrimidine Traditional Name: 4-[5-(m-tolyl)-3-(4-piperidylthio)-1H-pyrazol-4-yl]pyrimidine Formula: C19H21N5S MolecularWeight: 351.46854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C(=NN2)SC3CCNCC3)C4=NC=NC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C(=NN2)SC3CCNCC3)C4=NC=NC=C4

InChI

InChI=1S/C19H21N5S/c1-13-3-2-4-14(11-13)18-17(16-7-10-21-12-22-16)19(24-23-18)25-15-5-8-20-9-6-15/h2-4,7,10-12,15,20H,5-6,8-9H2,1H3,(H,23,24)