[5-(3-chloranyl-5-cyano-phenyl)sulfanyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazol-3-yl]methyl carbamate

Systemtic Name: [5-(3-chloranyl-5-cyano-phenyl)sulfanyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazol-3-yl]methyl carbamate Openeye Name: [5-(3-chloro-5-cyano-phenyl)sulfanyl-1-isopropyl-4-(4-pyridylmethyl)pyrazol-3-yl]methyl carbamate CAS Name: carbamic acid [5-[(3-chloro-5-cyanophenyl)thio]-1-propan-2-yl-4-(pyridin-4-ylmethyl)-3-pyrazolyl]methyl ester IUPAC Name: [5-(3-chloro-5-cyanophenyl)sulfanyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazol-3-yl]methyl carbamate Traditional Name: carbamic acid [5-[(3-chloro-5-cyano-phenyl)thio]-1-isopropyl-4-(4-pyridylmethyl)pyrazol-3-yl]methyl ester Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O2S/c1-13(2)27-20(30-17-8-15(11-23)7-16(22)10-17)18(9-14-3-5-25-6-4-14)19(26-27)12-29-21(24)28/h3-8,10,13H,9,12H2,1-2H3,(H2,24,28)