(E)-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(6-chlorothiochroman-4-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(6-chlorothiochroman-4-yl)-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H18ClN3OS MolecularWeight: 395.90512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4)C=C(C=C2)Cl

InChI

InChI=1S/C21H18ClN3OS/c22-16-7-8-20-18(12-16)19(10-11-27-20)24-21(26)9-6-15-13-23-25(14-15)17-4-2-1-3-5-17/h1-9,12-14,19H,10-11H2,(H,24,26)/b9-6+