N-(6-bromanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide

Systemtic Name: N-(6-bromanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C17H12BrN3O3S MolecularWeight: 418.26448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O3S/c1-2-9-20-14-8-7-11(18)10-15(14)25-17(20)19-16(22)12-5-3-4-6-13(12)21(23)24/h2-8,10H,1,9H2