2-(3H-1,3-benzothiazol-2-ylidene)-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-ethanethioamide

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-ethanethioamide Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-N-(3-chloro-2-methyl-phenyl)-2-cyano-thioacetamide CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-N-(3-chloro-2-methylphenyl)-2-cyanoethanethioamide IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-N-(3-chloro-2-methylphenyl)-2-cyanoethanethioamide Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-N-(3-chloro-2-methyl-phenyl)-2-cyano-thioacetamide Formula: C17H12ClN3S2 MolecularWeight: 357.88028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)C(=C2NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C17H12ClN3S2/c1-10-12(18)5-4-7-13(10)20-16(22)11(9-19)17-21-14-6-2-3-8-15(14)23-17/h2-8,21H,1H3,(H,20,22)