3-[(4-ethoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole

Systemtic Name: 3-[(4-ethoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(4-ethoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(4-ethoxyphenyl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(4-ethoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(4-ethoxybenzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2=NNC(=N2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=NNC(=N2)C

InChI

InChI=1S/C12H15N3OS/c1-3-16-11-6-4-10(5-7-11)8-17-12-13-9(2)14-15-12/h4-7H,3,8H2,1-2H3,(H,13,14,15)