3-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1H-pyrazole-5-carboxamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NN3)C4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NN3)C4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C20H16N4O3S/c21-9-13-12-3-1-2-4-18(12)28-20(13)22-19(25)15-8-14(23-24-15)11-5-6-16-17(7-11)27-10-26-16/h5-8H,1-4,10H2,(H,22,25)(H,23,24)