2-methylsulfanyl-5-phenyl-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidine

Systemtic Name: 2-methylsulfanyl-5-phenyl-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidine Openeye Name: 2-methylsulfanyl-5-phenyl-4-[4-[[4-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]-1-piperidyl]methyl]phenyl]pyrimidine CAS Name: 2-(methylthio)-5-phenyl-4-[4-[[4-[3-(2-pyridinyl)-1H-1,2,4-triazol-5-yl]-1-piperidinyl]methyl]phenyl]pyrimidine IUPAC Name: 2-methylsulfanyl-5-phenyl-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidine Traditional Name: 2-(methylthio)-5-phenyl-4-[4-[[4-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]piperidino]methyl]phenyl]pyrimidine Formula: C30H29N7S MolecularWeight: 519.66316

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=C(C=C2)CN3CCC(CC3)C4=NC(=NN4)C5=CC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=C(C=C2)CN3CCC(CC3)C4=NC(=NN4)C5=CC=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C30H29N7S/c1-38-30-32-19-25(22-7-3-2-4-8-22)27(33-30)23-12-10-21(11-13-23)20-37-17-14-24(15-18-37)28-34-29(36-35-28)26-9-5-6-16-31-26/h2-13,16,19,24H,14-15,17-18,20H2,1H3,(H,34,35,36)