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

Systemtic Name: 4-oxidanylidene-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4C=NC=N4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4C=NC=N4)NC1=O

InChI

InChI=1S/C18H16N6O2S/c25-16-5-7-27-15-4-3-12(8-14(15)23-16)18(26)21-9-13-2-1-6-20-17(13)24-11-19-10-22-24/h1-4,6,8,10-11H,5,7,9H2,(H,21,26)(H,23,25)