N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide Formula: C17H10BrN3O3S MolecularWeight: 416.2486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrN3O3S/c1-2-9-20-14-8-5-12(18)10-15(14)25-17(20)19-16(22)11-3-6-13(7-4-11)21(23)24/h1,3-8,10H,9H2