3-(4-butoxyphenyl)-4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-butoxyphenyl)-4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-butoxyphenyl)-4-methyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-butoxyphenyl)-4-methyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-butoxyphenyl)-4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-butoxyphenyl)-4-methyl-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3C

InChI

InChI=1S/C21H25N3OS/c1-4-5-14-25-19-12-10-17(11-13-19)20-22-23-21(24(20)3)26-15-18-9-7-6-8-16(18)2/h6-13H,4-5,14-15H2,1-3H3