N-[2-[1,3-benzothiazol-2-yl(cyano)methyl]sulfanylphenyl]-N-methyl-ethanamide

Systemtic Name: N-[2-[1,3-benzothiazol-2-yl(cyano)methyl]sulfanylphenyl]-N-methyl-ethanamide Openeye Name: N-[2-[1,3-benzothiazol-2-yl(cyano)methyl]sulfanylphenyl]-N-methyl-acetamide CAS Name: N-[2-[[1,3-benzothiazol-2-yl(cyano)methyl]thio]phenyl]-N-methylacetamide IUPAC Name: N-[2-[1,3-benzothiazol-2-yl(cyano)methyl]sulfanylphenyl]-N-methylacetamide Traditional Name: N-[2-[[1,3-benzothiazol-2-yl(cyano)methyl]thio]phenyl]-N-methyl-acetamide Formula: C18H15N3OS2 MolecularWeight: 353.4612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=CC=CC=C1SC(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)N(C)C1=CC=CC=C1SC(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15N3OS2/c1-12(22)21(2)14-8-4-6-10-16(14)23-17(11-19)18-20-13-7-3-5-9-15(13)24-18/h3-10,17H,1-2H3