1-methyl-N-(4-propan-2-yloxyphenyl)-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxamide

Systemtic Name: 1-methyl-N-(4-propan-2-yloxyphenyl)-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxamide Openeye Name: N-(4-isopropoxyphenyl)-1-methyl-5-(4-pyridylmethylsulfanyl)pyrazole-4-carboxamide CAS Name: 1-methyl-N-(4-propan-2-yloxyphenyl)-5-(pyridin-4-ylmethylthio)-4-pyrazolecarboxamide IUPAC Name: 1-methyl-N-(4-propan-2-yloxyphenyl)-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxamide Traditional Name: N-(4-isopropoxyphenyl)-1-methyl-5-(4-pyridylmethylthio)pyrazole-4-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C)SCC3=CC=NC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C)SCC3=CC=NC=C3

InChI

InChI=1S/C20H22N4O2S/c1-14(2)26-17-6-4-16(5-7-17)23-19(25)18-12-22-24(3)20(18)27-13-15-8-10-21-11-9-15/h4-12,14H,13H2,1-3H3,(H,23,25)