2-(3-chloranylpyridin-2-yl)-N-[4-(cyclopropylcarbamoyl)-6-ethynyl-2,2-bis(fluoranyl)-1,3-benzodithiol-5-yl]-5-methoxy-pyrazole-3-carboxamide

Systemtic Name: 2-(3-chloranylpyridin-2-yl)-N-[4-(cyclopropylcarbamoyl)-6-ethynyl-2,2-bis(fluoranyl)-1,3-benzodithiol-5-yl]-5-methoxy-pyrazole-3-carboxamide Openeye Name: 2-(3-chloro-2-pyridyl)-N-[4-(cyclopropylcarbamoyl)-6-ethynyl-2,2-difluoro-1,3-benzodithiol-5-yl]-5-methoxy-pyrazole-3-carboxamide CAS Name: 2-(3-chloro-2-pyridinyl)-N-[4-[(cyclopropylamino)-oxomethyl]-6-ethynyl-2,2-difluoro-1,3-benzodithiol-5-yl]-5-methoxy-3-pyrazolecarboxamide IUPAC Name: 2-(3-chloropyridin-2-yl)-N-[4-(cyclopropylcarbamoyl)-6-ethynyl-2,2-difluoro-1,3-benzodithiol-5-yl]-5-methoxypyrazole-3-carboxamide Traditional Name: 2-(3-chloro-2-pyridyl)-N-[4-(cyclopropylcarbamoyl)-6-ethynyl-2,2-difluoro-1,3-benzodithiol-5-yl]-5-methoxy-pyrazole-3-carboxamide Formula: C23H16ClF2N5O3S2 MolecularWeight: 547.984646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C(=C1)C(=O)NC2=C(C3=C(C=C2C#C)SC(S3)(F)F)C(=O)NC4CC4)C5=C(C=CC=N5)Cl

Isomeric SMILES

COC1=NN(C(=C1)C(=O)NC2=C(C3=C(C=C2C#C)SC(S3)(F)F)C(=O)NC4CC4)C5=C(C=CC=N5)Cl

InChI

InChI=1S/C23H16ClF2N5O3S2/c1-3-11-9-15-19(36-23(25,26)35-15)17(22(33)28-12-6-7-12)18(11)29-21(32)14-10-16(34-2)30-31(14)20-13(24)5-4-8-27-20/h1,4-5,8-10,12H,6-7H2,2H3,(H,28,33)(H,29,32)