3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophene-2-carbonitrile

Systemtic Name: 3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophene-2-carbonitrile Openeye Name: 3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophene-2-carbonitrile CAS Name: 3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)-2-thiophenecarbonitrile IUPAC Name: 3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophene-2-carbonitrile Traditional Name: 3-nitro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophene-2-carbonitrile Formula: C15H13N3O4S2 MolecularWeight: 363.41142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(S3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(S3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S2/c16-10-14-13(18(19)20)9-15(23-14)24(21,22)17-8-4-3-6-11-5-1-2-7-12(11)17/h1-2,5,7,9H,3-4,6,8H2