4-[2-oxidanylidene-7-thiomorpholin-4-yl-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile

Systemtic Name: 4-[2-oxidanylidene-7-thiomorpholin-4-yl-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Openeye Name: 4-[2-oxo-7-thiomorpholino-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile CAS Name: 4-[2-oxo-7-thiomorpholin-4-yl-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[2-oxo-7-thiomorpholin-4-yl-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Traditional Name: 4-[2-keto-7-thiomorpholino-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]picolinonitrile Formula: C20H16F3N5OS MolecularWeight: 431.43415

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C=C(N3)C4=CC(=NC=C4)C#N

Isomeric SMILES

C1CSCCN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C=C(N3)C4=CC(=NC=C4)C#N

InChI

InChI=1S/C20H16F3N5OS/c21-20(22,23)14-8-16-17(9-18(14)28-3-5-30-6-4-28)26-15(10-19(29)27-16)12-1-2-25-13(7-12)11-24/h1-2,7-10,26H,3-6H2,(H,27,29)