1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N-[(5-chloranylthiophen-2-yl)methyl]-5-cyclopropyl-pyrazole-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N-[(5-chloranylthiophen-2-yl)methyl]-5-cyclopropyl-pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N-[(5-chloro-2-thienyl)methyl]-5-cyclopropyl-pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-N-[(5-chloro-2-thiophenyl)methyl]-5-cyclopropyl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropylpyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N-[(5-chloro-2-thienyl)methyl]-5-cyclopropyl-pyrazole-4-carboxamide Formula: C23H18ClN5O3S MolecularWeight: 479.93872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC=C(S6)Cl

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC=C(S6)Cl

InChI

InChI=1S/C23H18ClN5O3S/c24-20-6-4-15(33-20)10-26-22(30)16-11-27-29(21(16)13-1-2-13)23-25-8-7-17(28-23)14-3-5-18-19(9-14)32-12-31-18/h3-9,11,13H,1-2,10,12H2,(H,26,30)