3-bromanyl-N-[(Z)-[3-ethyl-4-(3-nitrophenyl)-1,3-thiazol-2-ylidene]amino]benzamide bromide

Systemtic Name: 3-bromanyl-N-[(Z)-[3-ethyl-4-(3-nitrophenyl)-1,3-thiazol-2-ylidene]amino]benzamide bromide Openeye Name: 3-bromo-N-[(Z)-[3-ethyl-4-(3-nitrophenyl)thiazol-2-ylidene]amino]benzamide bromide CAS Name: 3-bromo-N-[(Z)-[3-ethyl-4-(3-nitrophenyl)-2-thiazolylidene]amino]benzamide bromide IUPAC Name: 3-bromo-N-[(Z)-[3-ethyl-4-(3-nitrophenyl)-1,3-thiazol-2-ylidene]amino]benzamide bromide Traditional Name: 3-bromo-N-[(Z)-[3-ethyl-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]amino]benzamide bromide Formula: C18H15Br2N4O3S- MolecularWeight: 527.2097

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CSC1=NNC(=O)C2=CC(=CC=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCN\1C(=CS/C1=N\NC(=O)C2=CC(=CC=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C18H15BrN4O3S.BrH/c1-2-22-16(12-5-4-8-15(10-12)23(25)26)11-27-18(22)21-20-17(24)13-6-3-7-14(19)9-13;/h3-11H,2H2,1H3,(H,20,24);1H/p-1/b21-18-;