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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c20-15-14(11-12-5-7-13(8-6-12)19(21)22)23-16(17-15)18-9-3-1-2-4-10-18/h5-8,11H,1-4,9-10H2/b14-11-