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

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylsulfanylacetamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(phenylthio)acetamide Formula: C19H15ClN4OS2 MolecularWeight: 414.9316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C19H15ClN4OS2/c1-12-10-16(21-17(25)11-26-13-6-3-2-4-7-13)24(23-12)19-22-18-14(20)8-5-9-15(18)27-19/h2-10H,11H2,1H3,(H,21,25)