N-(6-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(6-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(6-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylthio)butyramide Formula: C21H19FN2OS2 MolecularWeight: 398.516763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2OS2/c1-3-12-24-18-11-8-16(22)14-19(18)27-21(24)23-20(25)5-4-13-26-17-9-6-15(2)7-10-17/h1,6-11,14H,4-5,12-13H2,2H3