5-methoxy-2-methyl-4-[[2-methyl-5-(3-phenylprop-1-ynyl)phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-methoxy-2-methyl-4-[[2-methyl-5-(3-phenylprop-1-ynyl)phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-methoxy-2-methyl-4-[[2-methyl-5-(3-phenylprop-1-ynyl)phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-methoxy-2-methyl-4-[[2-methyl-5-(3-phenylprop-1-ynyl)phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-methoxy-2-methyl-4-[[2-methyl-5-(3-phenylprop-1-ynyl)phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-methoxy-2-methyl-4-[2-methyl-5-(3-phenylprop-1-ynyl)benzyl]-1,2,4-triazol-3-one Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#CCC2=CC=CC=C2)CN3C(=NN(C3=O)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C#CCC2=CC=CC=C2)CN3C(=NN(C3=O)C)OC

InChI

InChI=1S/C21H21N3O2/c1-16-12-13-18(11-7-10-17-8-5-4-6-9-17)14-19(16)15-24-20(26-3)22-23(2)21(24)25/h4-6,8-9,12-14H,10,15H2,1-3H3