N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-iodanyl-benzamide

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-iodanyl-benzamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-iodo-benzamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-2-iodobenzamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-iodobenzamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-iodo-benzamide Formula: C18H12ClIN4OS MolecularWeight: 494.73655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2I)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2I)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C18H12ClIN4OS/c1-10-9-15(21-17(25)11-5-2-3-7-13(11)20)24(23-10)18-22-16-12(19)6-4-8-14(16)26-18/h2-9H,1H3,(H,21,25)