5-chloranyl-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[1-(3-cyanobenzyl)pyrazol-4-yl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H13ClN6OS MolecularWeight: 384.84272

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C17H13ClN6OS/c1-26-17-20-8-14(18)15(23-17)16(25)22-13-7-21-24(10-13)9-12-4-2-3-11(5-12)6-19/h2-5,7-8,10H,9H2,1H3,(H,22,25)