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

Systemtic Name: N-octadecyl-1-oxidanyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxamide Openeye Name: 1-hydroxy-N-octadecyl-4-(1-phenyltetrazol-5-yl)sulfanyl-naphthalene-2-carboxamide CAS Name: 1-hydroxy-N-octadecyl-4-[(1-phenyl-5-tetrazolyl)thio]-2-naphthalenecarboxamide IUPAC Name: 1-hydroxy-N-octadecyl-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide Traditional Name: 1-hydroxy-4-[(1-phenyltetrazol-5-yl)thio]-N-stearyl-2-naphthamide Formula: C36H49N5O2S MolecularWeight: 615.87156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)SC3=NN=NN3C4=CC=CC=C4)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)SC3=NN=NN3C4=CC=CC=C4)O

InChI

InChI=1S/C36H49N5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-37-35(43)32-28-33(30-25-20-21-26-31(30)34(32)42)44-36-38-39-40-41(36)29-23-18-17-19-24-29/h17-21,23-26,28,42H,2-16,22,27H2,1H3,(H,37,43)