(E)-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-N-thiochroman-4-yl-prop-2-enamide CAS Name: (E)-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(3,4-dihydro-2H-thiochromen-4-yl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-N-thiochroman-4-yl-acrylamide Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4OS/c32-26(29-24-14-16-33-25-11-5-4-10-23(24)25)13-12-22-19-31(18-20-7-2-1-3-8-20)30-27(22)21-9-6-15-28-17-21/h1-13,15,17,19,24H,14,16,18H2,(H,29,32)/b13-12+