4-oxidanylidene-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C13H10F3N5O2S MolecularWeight: 357.31101

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=NNC(=N3)C(F)(F)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=NNC(=N3)C(F)(F)F)NC1=O

InChI

InChI=1S/C13H10F3N5O2S/c14-13(15,16)11-19-12(21-20-11)18-10(23)6-1-2-8-7(5-6)17-9(22)3-4-24-8/h1-2,5H,3-4H2,(H,17,22)(H2,18,19,20,21,23)