N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide Formula: C19H13N3O3S3 MolecularWeight: 427.51982

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CC#C

InChI

InChI=1S/C19H13N3O3S3/c1-3-8-22-15-7-5-13(28(2,24)25)10-17(15)27-19(22)21-18(23)12-4-6-14-16(9-12)26-11-20-14/h1,4-7,9-11H,8H2,2H3