3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS2/c1-24(14-16-13-22-25(15-16)17-7-3-2-4-8-17)20(26)11-12-27-21-23-18-9-5-6-10-19(18)28-21/h2-10,13,15H,11-12,14H2,1H3