4-butyl-3-methyl-5-phenyl-1,2,4-triazole

Systemtic Name: 4-butyl-3-methyl-5-phenyl-1,2,4-triazole Openeye Name: 4-butyl-3-methyl-5-phenyl-1,2,4-triazole CAS Name: 4-butyl-3-methyl-5-phenyl-1,2,4-triazole IUPAC Name: 4-butyl-3-methyl-5-phenyl-1,2,4-triazole Traditional Name: 4-butyl-3-methyl-5-phenyl-1,2,4-triazole Formula: C13H17N3 MolecularWeight: 215.29418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1C2=CC=CC=C2)C

Isomeric SMILES

CCCCN1C(=NN=C1C2=CC=CC=C2)C

InChI

InChI=1S/C13H17N3/c1-3-4-10-16-11(2)14-15-13(16)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3