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

Systemtic Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Openeye Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide CAS Name: N-[6-(methylthio)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide IUPAC Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide Traditional Name: N-[6-(methylthio)-3-propargyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Formula: C18H13N3O3S2 MolecularWeight: 383.44412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C18H13N3O3S2/c1-3-9-20-15-8-7-14(25-2)11-16(15)26-18(20)19-17(22)12-5-4-6-13(10-12)21(23)24/h1,4-8,10-11H,9H2,2H3