5-[(E)-but-1-enyl]-2-pentyl-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-pentyl-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-pentyl-4-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-[(E)-but-1-enyl]-2-pentyl-4-[[4-[2-(5-tetrazolidinyl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-[(E)-but-1-enyl]-2-pentyl-4-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 2-amyl-5-[(E)-but-1-enyl]-4-[4-[2-(tetrazolidin-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C25H33N7O MolecularWeight: 447.57582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)N(C(=N1)C=CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4

Isomeric SMILES

CCCCCN1C(=O)N(C(=N1)/C=C/CC)CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4

InChI

InChI=1S/C25H33N7O/c1-3-5-9-17-32-25(33)31(23(28-32)12-6-4-2)18-19-13-15-20(16-14-19)21-10-7-8-11-22(21)24-26-29-30-27-24/h6-8,10-16,24,26-27,29-30H,3-5,9,17-18H2,1-2H3/b12-6+