5-(4-aminophenyl)-4-dodecyl-2-methyl-1,2,4-triazol-3-one

Systemtic Name: 5-(4-aminophenyl)-4-dodecyl-2-methyl-1,2,4-triazol-3-one Openeye Name: 5-(4-aminophenyl)-4-dodecyl-2-methyl-1,2,4-triazol-3-one CAS Name: 5-(4-aminophenyl)-4-dodecyl-2-methyl-1,2,4-triazol-3-one IUPAC Name: 5-(4-aminophenyl)-4-dodecyl-2-methyl-1,2,4-triazol-3-one Traditional Name: 5-(4-aminophenyl)-4-lauryl-2-methyl-1,2,4-triazol-3-one Formula: C21H34N4O MolecularWeight: 358.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NN(C1=O)C)C2=CC=C(C=C2)N

Isomeric SMILES

CCCCCCCCCCCCN1C(=NN(C1=O)C)C2=CC=C(C=C2)N

InChI

InChI=1S/C21H34N4O/c1-3-4-5-6-7-8-9-10-11-12-17-25-20(23-24(2)21(25)26)18-13-15-19(22)16-14-18/h13-16H,3-12,17,22H2,1-2H3