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

Systemtic Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide Openeye Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide CAS Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide IUPAC Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide Traditional Name: N-(4,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide Formula: C19H15N3O3S MolecularWeight: 365.4057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N2CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N2CC#C)C

InChI

InChI=1S/C19H15N3O3S/c1-4-9-21-17-13(3)10-12(2)11-16(17)26-19(21)20-18(23)14-5-7-15(8-6-14)22(24)25/h1,5-8,10-11H,9H2,2-3H3