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

Systemtic Name: N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide Openeye Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide CAS Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide IUPAC Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide Traditional Name: N-(6-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-mesyl-benzamide Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O3S2/c1-3-10-21-15-9-6-13(19)11-16(15)25-18(21)20-17(22)12-4-7-14(8-5-12)26(2,23)24/h1,4-9,11H,10H2,2H3