N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide

Systemtic Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide Openeye Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide CAS Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide IUPAC Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)S2)CC#C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)S2)CC#C

InChI

InChI=1S/C19H16N2O3S2/c1-4-11-21-16-10-5-13(2)12-17(16)25-19(21)20-18(22)14-6-8-15(9-7-14)26(3,23)24/h1,5-10,12H,11H2,2-3H3