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

Systemtic Name: N-[5-oxidanylidene-1-phenyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4H-pyrazol-3-yl]octadecanamide Openeye Name: N-[5-oxo-1-phenyl-4-(1-phenyltetrazol-5-yl)sulfanyl-4H-pyrazol-3-yl]octadecanamide CAS Name: N-[5-oxo-1-phenyl-4-[(1-phenyl-5-tetrazolyl)thio]-4H-pyrazol-3-yl]octadecanamide IUPAC Name: N-[5-oxo-1-phenyl-4-(1-phenyltetrazol-5-yl)sulfanyl-4H-pyrazol-3-yl]octadecanamide Traditional Name: N-[5-keto-1-phenyl-4-[(1-phenyltetrazol-5-yl)thio]-2-pyrazolin-3-yl]stearamide Formula: C34H47N7O2S MolecularWeight: 617.84768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1SC2=NN=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1SC2=NN=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C34H47N7O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-30(42)35-32-31(33(43)40(37-32)28-23-18-16-19-24-28)44-34-36-38-39-41(34)29-25-20-17-21-26-29/h16-21,23-26,31H,2-15,22,27H2,1H3,(H,35,37,42)