4-(1H-benzimidazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)butyramide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H23N5O2S/c1-15-20(21(29)27(26(15)2)16-9-4-3-5-10-16)25-19(28)13-8-14-30-22-23-17-11-6-7-12-18(17)24-22/h3-7,9-12H,8,13-14H2,1-2H3,(H,23,24)(H,25,28)