[5-(3,5-dicyanophenyl)sulfanyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazol-3-yl]methyl carbamate

Systemtic Name: [5-(3,5-dicyanophenyl)sulfanyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazol-3-yl]methyl carbamate Openeye Name: [5-(3,5-dicyanophenyl)sulfanyl-1-isopropyl-4-(4-pyridylmethyl)pyrazol-3-yl]methyl carbamate CAS Name: carbamic acid [5-[(3,5-dicyanophenyl)thio]-1-propan-2-yl-4-(pyridin-4-ylmethyl)-3-pyrazolyl]methyl ester IUPAC Name: [5-(3,5-dicyanophenyl)sulfanyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazol-3-yl]methyl carbamate Traditional Name: carbamic acid [5-[(3,5-dicyanophenyl)thio]-1-isopropyl-4-(4-pyridylmethyl)pyrazol-3-yl]methyl ester Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=N1)COC(=O)N)CC2=CC=NC=C2)SC3=CC(=CC(=C3)C#N)C#N

Isomeric SMILES

CC(C)N1C(=C(C(=N1)COC(=O)N)CC2=CC=NC=C2)SC3=CC(=CC(=C3)C#N)C#N

InChI

InChI=1S/C22H20N6O2S/c1-14(2)28-21(31-18-8-16(11-23)7-17(9-18)12-24)19(10-15-3-5-26-6-4-15)20(27-28)13-30-22(25)29/h3-9,14H,10,13H2,1-2H3,(H2,25,29)