4,5,6-trimethyl-2-[2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[(4R)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=C(C(=C3C#N)C)C)C

Isomeric SMILES

C[C@@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=C(C(=C3C#N)C)C)C

InChI

InChI=1S/C21H22N4O2S/c1-12-9-19(26)24-17-7-5-6-8-18(17)25(12)20(27)11-28-21-16(10-22)14(3)13(2)15(4)23-21/h5-8,12H,9,11H2,1-4H3,(H,24,26)/t12-/m1/s1