4-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-2-oxidanylidene-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile

Systemtic Name: 4-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-2-oxidanylidene-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Openeye Name: 4-[3-(3-methylisoxazol-5-yl)phenyl]-2-oxo-7-thiomorpholino-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile CAS Name: 4-[3-(3-methyl-5-isoxazolyl)phenyl]-2-oxo-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile IUPAC Name: 4-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-2-oxo-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Traditional Name: 2-keto-4-[3-(3-methylisoxazol-5-yl)phenyl]-7-thiomorpholino-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CC(=CC=C2)C3=NC4=C(C=C(C(=C4)N5CCSCC5)C#N)NC(=O)C3

Isomeric SMILES

CC1=NOC(=C1)C2=CC(=CC=C2)C3=NC4=C(C=C(C(=C4)N5CCSCC5)C#N)NC(=O)C3

InChI

InChI=1S/C24H21N5O2S/c1-15-9-23(31-28-15)17-4-2-3-16(10-17)19-13-24(30)27-20-11-18(14-25)22(12-21(20)26-19)29-5-7-32-8-6-29/h2-4,9-12H,5-8,13H2,1H3,(H,27,30)