N-[4-[5-ethoxy-3-oxidanylidene-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1H-pyrazol-2-yl]phenyl]-2-(3-pentadecylphenoxy)butanamide

Systemtic Name: N-[4-[5-ethoxy-3-oxidanylidene-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1H-pyrazol-2-yl]phenyl]-2-(3-pentadecylphenoxy)butanamide Openeye Name: N-[4-[5-ethoxy-3-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-1H-pyrazol-2-yl]phenyl]-2-(3-pentadecylphenoxy)butanamide CAS Name: N-[4-[5-ethoxy-3-oxo-4-[(1-phenyl-5-tetrazolyl)thio]-1H-pyrazol-2-yl]phenyl]-2-(3-pentadecylphenoxy)butanamide IUPAC Name: N-[4-[5-ethoxy-3-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-1H-pyrazol-2-yl]phenyl]-2-(3-pentadecylphenoxy)butanamide Traditional Name: N-[4-[3-ethoxy-5-keto-4-[(1-phenyltetrazol-5-yl)thio]-3-pyrazolin-1-yl]phenyl]-2-(3-pentadecylphenoxy)butyramide Formula: C43H57N7O4S MolecularWeight: 768.02218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC=C(C=C2)N3C(=O)C(=C(N3)OCC)SC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC=C(C=C2)N3C(=O)C(=C(N3)OCC)SC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C43H57N7O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-23-33-24-22-27-37(32-33)54-38(5-2)40(51)44-34-28-30-36(31-29-34)49-42(52)39(41(46-49)53-6-3)55-43-45-47-48-50(43)35-25-20-18-21-26-35/h18,20-22,24-32,38,46H,4-17,19,23H2,1-3H3,(H,44,51)