1-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-pyridin-3-ylethyl)urea

Systemtic Name: 1-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-pyridin-3-ylethyl)urea Openeye Name: 1-(6-fluorothiochroman-4-yl)-3-[2-(3-pyridyl)ethyl]urea CAS Name: 1-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[2-(3-pyridinyl)ethyl]urea IUPAC Name: 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-pyridin-3-ylethyl)urea Traditional Name: 1-(6-fluorothiochroman-4-yl)-3-[2-(3-pyridyl)ethyl]urea Formula: C17H18FN3OS MolecularWeight: 331.407723

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)NCCC3=CN=CC=C3)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)NCCC3=CN=CC=C3)C=C(C=C2)F

InChI

InChI=1S/C17H18FN3OS/c18-13-3-4-16-14(10-13)15(6-9-23-16)21-17(22)20-8-5-12-2-1-7-19-11-12/h1-4,7,10-11,15H,5-6,8-9H2,(H2,20,21,22)