N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,2-diphenyl-ethanamide

Systemtic Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,2-diphenyl-ethanamide Openeye Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,2-diphenyl-acetamide CAS Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide IUPAC Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide Traditional Name: N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-2,2-diphenyl-acetamide Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C25H20N2O2S/c1-3-16-27-21-15-14-20(29-2)17-22(21)30-25(27)26-24(28)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h1,4-15,17,23H,16H2,2H3