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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-phenyl-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-phenyl-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-phenyl-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-phenyl-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-phenyl-N-(2-pyrazol-1-ylethyl)benzamide Formula: C25H19ClN4OS MolecularWeight: 458.96256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=CC=C5Cl

InChI

InChI=1S/C25H19ClN4OS/c26-21-8-4-9-22-23(21)28-25(32-22)30(17-16-29-15-5-14-27-29)24(31)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-15H,16-17H2