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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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