4-[5-(3-methylphenyl)-3-(1-methylpiperidin-4-yl)sulfanyl-1H-pyrazol-4-yl]pyrimidine

Systemtic Name: 4-[5-(3-methylphenyl)-3-(1-methylpiperidin-4-yl)sulfanyl-1H-pyrazol-4-yl]pyrimidine Openeye Name: 4-[3-[(1-methyl-4-piperidyl)sulfanyl]-5-(m-tolyl)-1H-pyrazol-4-yl]pyrimidine CAS Name: 4-[5-(3-methylphenyl)-3-[(1-methyl-4-piperidinyl)thio]-1H-pyrazol-4-yl]pyrimidine IUPAC Name: 4-[5-(3-methylphenyl)-3-(1-methylpiperidin-4-yl)sulfanyl-1H-pyrazol-4-yl]pyrimidine Traditional Name: 4-[3-[(1-methyl-4-piperidyl)thio]-5-(m-tolyl)-1H-pyrazol-4-yl]pyrimidine Formula: C20H23N5S MolecularWeight: 365.49512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C(=NN2)SC3CCN(CC3)C)C4=NC=NC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C(=NN2)SC3CCN(CC3)C)C4=NC=NC=C4

InChI

InChI=1S/C20H23N5S/c1-14-4-3-5-15(12-14)19-18(17-6-9-21-13-22-17)20(24-23-19)26-16-7-10-25(2)11-8-16/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,23,24)