1-prop-2-ynyl-3-[6-[5-(trifluoromethyl)pyridin-3-yl]-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-prop-2-ynyl-3-[6-[5-(trifluoromethyl)pyridin-3-yl]-1,3-benzothiazol-2-yl]urea Openeye Name: 1-prop-2-ynyl-3-[6-[5-(trifluoromethyl)-3-pyridyl]-1,3-benzothiazol-2-yl]urea CAS Name: 1-prop-2-ynyl-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-prop-2-ynyl-3-[6-[5-(trifluoromethyl)pyridin-3-yl]-1,3-benzothiazol-2-yl]urea Traditional Name: 1-propargyl-3-[6-[5-(trifluoromethyl)-3-pyridyl]-1,3-benzothiazol-2-yl]urea Formula: C17H11F3N4OS MolecularWeight: 376.35565

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CN=C3)C(F)(F)F

Isomeric SMILES

C#CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CN=C3)C(F)(F)F

InChI

InChI=1S/C17H11F3N4OS/c1-2-5-22-15(25)24-16-23-13-4-3-10(7-14(13)26-16)11-6-12(9-21-8-11)17(18,19)20/h1,3-4,6-9H,5H2,(H2,22,23,24,25)