3-chloranyl-5-[5-(hydroxymethyl)-2-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfanyl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-[5-(hydroxymethyl)-2-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfanyl-benzenecarbonitrile Openeye Name: 3-chloro-5-[5-(hydroxymethyl)-2-isopropyl-4-(4-pyridylmethyl)pyrazol-3-yl]sulfanyl-benzonitrile CAS Name: 3-chloro-5-[[5-(hydroxymethyl)-2-propan-2-yl-4-(pyridin-4-ylmethyl)-3-pyrazolyl]thio]benzonitrile IUPAC Name: 3-chloro-5-[5-(hydroxymethyl)-2-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfanylbenzonitrile Traditional Name: 3-chloro-5-[[2-isopropyl-5-methylol-4-(4-pyridylmethyl)pyrazol-3-yl]thio]benzonitrile Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=N1)CO)CC2=CC=NC=C2)SC3=CC(=CC(=C3)C#N)Cl

Isomeric SMILES

CC(C)N1C(=C(C(=N1)CO)CC2=CC=NC=C2)SC3=CC(=CC(=C3)C#N)Cl

InChI

InChI=1S/C20H19ClN4OS/c1-13(2)25-20(27-17-8-15(11-22)7-16(21)10-17)18(19(12-26)24-25)9-14-3-5-23-6-4-14/h3-8,10,13,26H,9,12H2,1-2H3