N-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(4R)-8-fluorothiochroman-4-yl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(4R)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[(4R)-8-fluorothiochroman-4-yl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C18H14FN5O3S MolecularWeight: 399.398863

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])C=CC=C2F

Isomeric SMILES

C1CSC2=C([C@@H]1NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])C=CC=C2F

InChI

InChI=1S/C18H14FN5O3S/c19-13-3-1-2-12-14(6-7-28-17(12)13)22-18(25)11-4-5-15(16(8-11)24(26)27)23-10-20-9-21-23/h1-5,8-10,14H,6-7H2,(H,22,25)/t14-/m1/s1