2-methylsulfanyl-4-prop-2-enoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-prop-2-enoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 4-allyloxy-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-prop-2-enoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-prop-2-enoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-allyloxy-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OCC=C)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CSC1=NC(=C(C(=N1)OCC=C)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C19H20N4OS/c1-3-12-24-18-16(13-20)17(21-19(22-18)25-2)23-10-8-14-6-4-5-7-15(14)9-11-23/h3-7H,1,8-12H2,2H3