3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]-1H-1,2,4-triazol-5-one CAS Name: 3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-[4-(4-amylcyclohexyl)phenyl]-3-methyl-1H-1,2,4-triazol-5-one Formula: C20H29N3O MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)N3C(=NNC3=O)C

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)N3C(=NNC3=O)C

InChI

InChI=1S/C20H29N3O/c1-3-4-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)23-15(2)21-22-20(23)24/h11-14,16-17H,3-10H2,1-2H3,(H,22,24)