7-bromanyl-1-(2-ethylsulfinylethyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-1-(2-ethylsulfinylethyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-1-(2-ethylsulfinylethyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-1-(2-ethylsulfinylethyl)-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-1-(2-ethylsulfinylethyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-1-(2-ethylsulfinylethyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3

Isomeric SMILES

CCS(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3

InChI

InChI=1S/C18H18BrN3O2S/c1-2-25(24)10-9-22-16-7-6-13(19)11-14(16)18(21-12-17(22)23)15-5-3-4-8-20-15/h3-8,11H,2,9-10,12H2,1H3