8-bromanyl-2-pyridin-4-yl-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 8-bromanyl-2-pyridin-4-yl-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 8-bromo-2-(4-pyridyl)-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 8-bromo-2-pyridin-4-yl-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 8-bromo-2-pyridin-4-yl-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 8-bromo-2-(4-pyridyl)-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine Formula: C18H13BrN2S2 MolecularWeight: 401.34322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(SC3=C(N2)C=CC(=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1=CSC(=C1)C2=CC(SC3=C(N2)C=CC(=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C18H13BrN2S2/c19-13-3-4-14-18(10-13)23-17(12-5-7-20-8-6-12)11-15(21-14)16-2-1-9-22-16/h1-11,17,21H