N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(p-tolylsulfanyl)acetamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(p-tolylthio)acetamide Formula: C21H20N2OS2 MolecularWeight: 380.5263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CC#C

InChI

InChI=1S/C21H20N2OS2/c1-5-10-23-18-11-15(3)16(4)12-19(18)26-21(23)22-20(24)13-25-17-8-6-14(2)7-9-17/h1,6-9,11-12H,10,13H2,2-4H3