N-[4-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]butanamide

Systemtic Name: N-[4-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]butanamide Openeye Name: N-[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]butanamide CAS Name: N-[4-[[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]thio]phenyl]butanamide IUPAC Name: N-[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-keto-2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]ethyl]thio]phenyl]butyramide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-2-6-19(26)22-15-9-11-17(12-10-15)29-14-20(27)23-18-13-21(28)25(24-18)16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3,(H,22,26)(H,23,24,27)