N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methyl-benzamide

Systemtic Name: N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methyl-benzamide Openeye Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methyl-benzamide CAS Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-methylbenzamide IUPAC Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzamide Traditional Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-methyl-benzamide Formula: C18H17BrN2OS2 MolecularWeight: 421.37438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCSC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCSC

InChI

InChI=1S/C18H17BrN2OS2/c1-12-3-5-13(6-4-12)17(22)20-18-21(9-10-23-2)15-8-7-14(19)11-16(15)24-18/h3-8,11H,9-10H2,1-2H3