5-[(E)-but-1-enyl]-2-hexyl-4-[[4-[2-(1,2,3,4-tetrazolidin-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-[(E)-but-1-enyl]-2-hexyl-4-[[4-[2-(1,2,3,4-tetrazolidin-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-[(E)-but-1-enyl]-2-hexyl-4-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-[(E)-but-1-enyl]-2-hexyl-4-[[4-[2-(5-tetrazolidinyl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-[(E)-but-1-enyl]-2-hexyl-4-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-[(E)-but-1-enyl]-2-hexyl-4-[4-[2-(tetrazolidin-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C26H35N7O MolecularWeight: 461.6024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)N(C(=N1)C=CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4

Isomeric SMILES

CCCCCCN1C(=O)N(C(=N1)/C=C/CC)CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4

InChI

InChI=1S/C26H35N7O/c1-3-5-7-10-18-33-26(34)32(24(29-33)13-6-4-2)19-20-14-16-21(17-15-20)22-11-8-9-12-23(22)25-27-30-31-28-25/h6,8-9,11-17,25,27-28,30-31H,3-5,7,10,18-19H2,1-2H3/b13-6+