N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(6-fluorothiochroman-4-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(6-fluorothiochroman-4-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H17FN4OS2 MolecularWeight: 400.492883

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)C=C(C=C2)F

InChI

InChI=1S/C19H17FN4OS2/c20-14-5-6-17-15(9-14)16(7-8-26-17)23-18(25)13-3-1-12(2-4-13)10-27-19-21-11-22-24-19/h1-6,9,11,16H,7-8,10H2,(H,23,25)(H,21,22,24)