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

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-phenylsulfanyl-butanamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-(phenylthio)butanamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-phenylsulfanylbutanamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(phenylthio)butyramide Formula: C21H19ClN4OS2 MolecularWeight: 442.98476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCCSC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCCSC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C21H19ClN4OS2/c1-14-13-18(23-19(27)11-6-12-28-15-7-3-2-4-8-15)26(25-14)21-24-20-16(22)9-5-10-17(20)29-21/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,27)