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

Systemtic Name: 2-[3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H22N4O2S2 MolecularWeight: 474.59778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C25H22N4O2S2/c26-24(31)22-18-9-4-5-10-19(18)33-25(22)27-21(30)13-12-16-15-29(17-7-2-1-3-8-17)28-23(16)20-11-6-14-32-20/h1-3,6-8,11-15H,4-5,9-10H2,(H2,26,31)(H,27,30)