5-[(E)-but-1-enyl]-2-pentan-2-yl-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-pentan-2-yl-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-(1-methylbutyl)-4-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-[(E)-but-1-enyl]-2-pentan-2-yl-4-[[4-[2-(5-tetrazolidinyl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-[(E)-but-1-enyl]-2-pentan-2-yl-4-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-[(E)-but-1-enyl]-2-(1-methylbutyl)-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:

CCCC(C)N1C(=O)N(C(=N1)C=CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4

Isomeric SMILES

CCCC(C)N1C(=O)N(C(=N1)/C=C/CC)CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4

InChI

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