N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4=CC(=CC=C4)SC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4=CC(=CC=C4)SC)C

InChI

InChI=1S/C22H22N4OS2/c1-15-12-16(2)20-19(13-15)29-22(24-20)26(11-10-25-9-5-8-23-25)21(27)17-6-4-7-18(14-17)28-3/h4-9,12-14H,10-11H2,1-3H3