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

Systemtic Name: N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: N-(6-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C17H10ClN3O3S MolecularWeight: 371.7976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClN3O3S/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/h1,3-8,10H,9H2