2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)butyramide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O2S2/c1-2-15(27-20-21-14-10-6-7-11-16(14)28-20)19(26)22-17-12-18(25)24(23-17)13-8-4-3-5-9-13/h3-12,15,23H,2H2,1H3,(H,22,26)