N-[3-(1,3-benzothiazol-2-yl)-4-methyl-phenyl]-2-cyano-ethanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-phenyl]-2-cyano-ethanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-phenyl]-2-cyano-acetamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4-methylphenyl]-2-cyanoacetamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4-methylphenyl]-2-cyanoacetamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-phenyl]-2-cyano-acetamide Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13N3OS/c1-11-6-7-12(19-16(21)8-9-18)10-13(11)17-20-14-4-2-3-5-15(14)22-17/h2-7,10H,8H2,1H3,(H,19,21)