N-[4-methoxy-6-oxidanylidene-3-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,4-dien-1-ylidene]-2-(3-pentadecylphenoxy)butanamide

Systemtic Name: N-[4-methoxy-6-oxidanylidene-3-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,4-dien-1-ylidene]-2-(3-pentadecylphenoxy)butanamide Openeye Name: N-[4-methoxy-6-oxo-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,4-dien-1-ylidene]-2-(3-pentadecylphenoxy)butanamide CAS Name: N-[4-methoxy-6-oxo-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-1-cyclohexa-2,4-dienylidene]-2-(3-pentadecylphenoxy)butanamide IUPAC Name: N-[4-methoxy-6-oxo-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]cyclohexa-2,4-dien-1-ylidene]-2-(3-pentadecylphenoxy)butanamide Traditional Name: N-[6-keto-4-methoxy-3-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]cyclohexa-2,4-dien-1-ylidene]-2-(3-pentadecylphenoxy)butyramide Formula: C39H53N5O4S MolecularWeight: 687.93422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)N=C2C=C(C(=CC2=O)OC)SC3=NNNN3C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)N=C2C=C(C(=CC2=O)OC)SC3=NNNN3C4=CC=CC=C4

InChI

InChI=1S/C39H53N5O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-22-30-23-21-26-32(27-30)48-35(5-2)38(46)40-33-28-37(36(47-3)29-34(33)45)49-39-41-42-43-44(39)31-24-19-17-20-25-31/h17,19-21,23-29,35,42-43H,4-16,18,22H2,1-3H3