N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-phenylsulfanyl-butanamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-(phenylthio)butanamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-phenylsulfanylbutanamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(phenylthio)butyramide Formula: C23H24N4OS2 MolecularWeight: 436.59286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCCSC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCCSC4=CC=CC=C4)C

InChI

InChI=1S/C23H24N4OS2/c1-15-12-16(2)22-19(13-15)30-23(25-22)27-20(14-17(3)26-27)24-21(28)10-7-11-29-18-8-5-4-6-9-18/h4-6,8-9,12-14H,7,10-11H2,1-3H3,(H,24,28)