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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-3-mesyl-benzamide Formula: C18H13BrN2O3S2 MolecularWeight: 449.34142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

InChI

InChI=1S/C18H13BrN2O3S2/c1-3-9-21-15-8-7-13(19)11-16(15)25-18(21)20-17(22)12-5-4-6-14(10-12)26(2,23)24/h1,4-8,10-11H,9H2,2H3