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

Systemtic Name: 4-oxidanylidene-2-(phenylsulfanylmethyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-(phenylsulfanylmethyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-[(phenylthio)methyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-(phenylsulfanylmethyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(phenylthio)methyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N=C(N3)CSC4=CC=CC=C4)C#N

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N=C(N3)CSC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H20N4OS/c23-14-19-21(26-12-10-16-6-4-5-7-17(16)11-13-26)24-20(25-22(19)27)15-28-18-8-2-1-3-9-18/h1-9H,10-13,15H2,(H,24,25,27)