1-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2C(=O)CC(C)(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2C(=O)CC(C)(C)C)OC

InChI

InChI=1S/C16H21N3O2/c1-11-6-8-12(9-7-11)14-17-15(21-5)18-19(14)13(20)10-16(2,3)4/h6-9H,10H2,1-5H3