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

Systemtic Name: N-(4-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide Openeye Name: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide CAS Name: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide IUPAC Name: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide Traditional Name: N-(4-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide Formula: C17H10ClN3O3S MolecularWeight: 371.7976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C#CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H10ClN3O3S/c1-2-10-20-15-13(18)4-3-5-14(15)25-17(20)19-16(22)11-6-8-12(9-7-11)21(23)24/h1,3-9H,10H2