N-[4-[(E)-N-(1-benzothiophen-3-ylcarbonylamino)-C-methyl-carbonimidoyl]phenyl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-[(E)-N-(1-benzothiophen-3-ylcarbonylamino)-C-methyl-carbonimidoyl]phenyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-[(E)-N-(benzothiophene-3-carbonylamino)-C-methyl-carbonimidoyl]phenyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[4-[(1E)-1-[[1-benzothiophen-3-yl(oxo)methyl]hydrazinylidene]ethyl]phenyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-[(E)-N-(1-benzothiophene-3-carbonylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[4-[(E)-N-(benzothiophene-3-carbonylamino)-C-methyl-carbonimidoyl]phenyl]-2-methyl-pyrazole-3-carboxamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CSC2=CC=CC=C21)C3=CC=C(C=C3)NC(=O)C4=CC=NN4C

Isomeric SMILES

C/C(=N\NC(=O)C1=CSC2=CC=CC=C21)/C3=CC=C(C=C3)NC(=O)C4=CC=NN4C

InChI

InChI=1S/C22H19N5O2S/c1-14(25-26-21(28)18-13-30-20-6-4-3-5-17(18)20)15-7-9-16(10-8-15)24-22(29)19-11-12-23-27(19)2/h3-13H,1-2H3,(H,24,29)(H,26,28)/b25-14+