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

Systemtic Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide CAS Name: N-[6-(methylthio)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Traditional Name: N-[6-(methylthio)-3-propargyl-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide Formula: C19H13N3OS3 MolecularWeight: 395.52102

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC#C

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC#C

InChI

InChI=1S/C19H13N3OS3/c1-3-10-22-14-9-8-12(24-2)11-16(14)26-19(22)21-17(23)18-20-13-6-4-5-7-15(13)25-18/h1,4-9,11H,10H2,2H3