2-[3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C26H23N5O2S/c27-25(33)23-20-10-4-5-11-21(20)34-26(23)29-22(32)13-12-18-16-31(19-8-2-1-3-9-19)30-24(18)17-7-6-14-28-15-17/h1-3,6-9,12-16H,4-5,10-11H2,(H2,27,33)(H,29,32)