N-(2-octadecoxyphenyl)-1-oxidanyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxamide

Systemtic Name: N-(2-octadecoxyphenyl)-1-oxidanyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxamide Openeye Name: 1-hydroxy-N-(2-octadecoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanyl-naphthalene-2-carboxamide CAS Name: 1-hydroxy-N-(2-octadecoxyphenyl)-4-[(1-phenyl-5-tetrazolyl)thio]-2-naphthalenecarboxamide IUPAC Name: 1-hydroxy-N-(2-octadecoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide Traditional Name: 1-hydroxy-4-[(1-phenyltetrazol-5-yl)thio]-N-(2-stearyloxyphenyl)-2-naphthamide Formula: C42H53N5O3S MolecularWeight: 707.96692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC=C5)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC=C5)O

InChI

InChI=1S/C42H53N5O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-31-50-38-30-23-22-29-37(38)43-41(49)36-32-39(34-27-20-21-28-35(34)40(36)48)51-42-44-45-46-47(42)33-25-18-17-19-26-33/h17-23,25-30,32,48H,2-16,24,31H2,1H3,(H,43,49)