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1-methyl-5-(2-oxidanylidene-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile

1-methyl-5-(2-oxidanylidene-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile

Systemtic Name:1-methyl-5-(2-oxidanylidene-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile
Openeye Name:1-methyl-5-[2-oxo-5,5-bis(2-thienyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-2-carbonitrile
CAS Name:1-methyl-5-(2-oxo-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-2-pyrrolecarbonitrile
IUPAC Name:1-methyl-5-(2-oxo-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile
Traditional Name:5-[2-keto-5,5-bis(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1-methyl-pyrrole-2-carbonitrile
Formula: C23H17N3O2S2
MolecularWeight: 431.52998
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC3=C(C=C2)NC(=O)COC3(C4=CC=CS4)C5=CC=CS5)C#N


Isomeric SMILES

CN1C(=CC=C1C2=CC3=C(C=C2)NC(=O)COC3(C4=CC=CS4)C5=CC=CS5)C#N


InChI

InChI=1S/C23H17N3O2S2/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-29-20,21-5-3-11-30-21)28-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)


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