2-(azepan-1-yl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-(azepan-1-yl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-(azepan-1-yl)-5-[(3-nitrophenyl)methylene]thiazol-4-one CAS Name: 2-(1-azepanyl)-5-[(3-nitrophenyl)methylidene]-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(azepan-1-yl)-5-(3-nitrobenzylidene)-2-thiazolin-4-one Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])S2

Isomeric SMILES

C1CCCN(CC1)C2=NC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])S2

InChI

InChI=1S/C16H17N3O3S/c20-15-14(11-12-6-5-7-13(10-12)19(21)22)23-16(17-15)18-8-3-1-2-4-9-18/h5-7,10-11H,1-4,8-9H2