2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)propanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)propanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)propanamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-cyanophenyl)propanamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)propanamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-cyanophenyl)propionamide Formula: C17H12ClN3OS2 MolecularWeight: 373.87968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H12ClN3OS2/c1-10(16(22)20-13-5-3-2-4-11(13)9-19)23-17-21-14-8-12(18)6-7-15(14)24-17/h2-8,10H,1H3,(H,20,22)