2-(2-methylsulfanylethyl)-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(2-methylsulfanylethyl)-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(2-methylsulfanylethyl)-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[2-(methylthio)ethyl]-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(2-methylsulfanylethyl)-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[2-(methylthio)ethyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3CC2)C#N

Isomeric SMILES

CSCCC1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3CC2)C#N

InChI

InChI=1S/C18H20N4OS/c1-24-11-8-16-20-17(15(12-19)18(23)21-16)22-9-6-13-4-2-3-5-14(13)7-10-22/h2-5H,6-11H2,1H3,(H,20,21,23)