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

Systemtic Name: 5-methyl-3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 3-[(4-isopropoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 5-methyl-3-[(4-propan-2-yloxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[(4-isopropoxybenzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C13H17N3OS/c1-9(2)17-12-6-4-11(5-7-12)8-18-13-14-10(3)15-16-13/h4-7,9H,8H2,1-3H3,(H,14,15,16)