5-chloranyl-2-methyl-4-[[3-[(2E)-2-phenylmethoxyiminopropyl]phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-chloranyl-2-methyl-4-[[3-[(2E)-2-phenylmethoxyiminopropyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 4-[[3-[(2E)-2-benzyloxyiminopropyl]phenyl]methyl]-5-chloro-2-methyl-1,2,4-triazol-3-one CAS Name: 5-chloro-2-methyl-4-[[3-[(2E)-2-phenylmethoxyiminopropyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-chloro-2-methyl-4-[[3-[(2E)-2-phenylmethoxyiminopropyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 4-[3-[(2E)-2-benzyloximinopropyl]benzyl]-5-chloro-2-methyl-1,2,4-triazol-3-one Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC1=CC=CC=C1)CC2=CC(=CC=C2)CN3C(=NN(C3=O)C)Cl

Isomeric SMILES

C/C(=N\OCC1=CC=CC=C1)/CC2=CC(=CC=C2)CN3C(=NN(C3=O)C)Cl

InChI

InChI=1S/C20H21ClN4O2/c1-15(23-27-14-16-7-4-3-5-8-16)11-17-9-6-10-18(12-17)13-25-19(21)22-24(2)20(25)26/h3-10,12H,11,13-14H2,1-2H3/b23-15+