N-[[1-(3-fluoranyl-4-morpholin-4-yl-phenyl)-1,2,3-triazol-4-yl]methylcarbamothioyl]benzamide

Systemtic Name: N-[[1-(3-fluoranyl-4-morpholin-4-yl-phenyl)-1,2,3-triazol-4-yl]methylcarbamothioyl]benzamide Openeye Name: N-[[1-(3-fluoro-4-morpholino-phenyl)triazol-4-yl]methylcarbamothioyl]benzamide CAS Name: N-[[[1-[3-fluoro-4-(4-morpholinyl)phenyl]-4-triazolyl]methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methylcarbamothioyl]benzamide Traditional Name: N-[[1-(3-fluoro-4-morpholino-phenyl)triazol-4-yl]methylthiocarbamoyl]benzamide Formula: C21H21FN6O2S MolecularWeight: 440.493843

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)NC(=O)C4=CC=CC=C4)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)NC(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C21H21FN6O2S/c22-18-12-17(6-7-19(18)27-8-10-30-11-9-27)28-14-16(25-26-28)13-23-21(31)24-20(29)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H2,23,24,29,31)