N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-cyano-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-cyano-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-pyrazol-1-ylethyl)benzamide Formula: C20H14ClN5OS MolecularWeight: 407.87606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(S2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(S2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H14ClN5OS/c21-16-3-1-4-17-18(16)24-20(28-17)26(12-11-25-10-2-9-23-25)19(27)15-7-5-14(13-22)6-8-15/h1-10H,11-12H2