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

Systemtic Name: 2-[3-(1,3-diphenylpyrazol-4-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(1,3-diphenylpyrazol-4-yl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(1,3-diphenylpyrazol-4-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-(1,3-diphenylpyrazol-4-yl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H24N4O2S MolecularWeight: 468.57006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O2S/c28-26(33)24-21-13-7-8-14-22(21)34-27(24)29-23(32)16-15-19-17-31(20-11-5-2-6-12-20)30-25(19)18-9-3-1-4-10-18/h1-6,9-12,15-17H,7-8,13-14H2,(H2,28,33)(H,29,32)