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

Systemtic Name: 2-cyclopropyl-4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidine-5-carbonitrile Openeye Name: 2-cyclopropyl-4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidine-5-carbonitrile CAS Name: 2-cyclopropyl-4-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-6-methyl-5-pyrimidinecarbonitrile IUPAC Name: 2-cyclopropyl-4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-6-methylpyrimidine-5-carbonitrile Traditional Name: 2-cyclopropyl-4-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]-6-methyl-pyrimidine-5-carbonitrile Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)C#N

InChI

InChI=1S/C25H22N4OS/c1-16-20(14-26)25(28-24(27-16)19-12-13-19)31-15-23(30)29-21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)29/h2-9,19H,10-13,15H2,1H3