3-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile

Systemtic Name: 3-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile Openeye Name: 3-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile CAS Name: 3-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile IUPAC Name: 3-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile Traditional Name: 3-mesyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(N=N1)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(N=N1)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C15H15N5O2S/c1-23(21,22)15-17-14(13(10-16)18-19-15)20-8-6-11-4-2-3-5-12(11)7-9-20/h2-5H,6-9H2,1H3