4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile CAS Name: 4-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carbonitrile Traditional Name: 4-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carbonitrile Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C#N

InChI

InChI=1S/C23H20N4OS/c1-15-19(13-24)23(26-16(2)25-15)29-14-22(28)27-20-9-5-3-7-17(20)11-12-18-8-4-6-10-21(18)27/h3-10H,11-12,14H2,1-2H3