5-(4-methoxyphenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(4-methoxyphenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-isobutylsulfanyl-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 5-(4-methoxyphenyl)-3-(2-methylpropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-methoxyphenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 3-(isobutylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NNC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CSC1=NNC(=N1)C2=CC=C(C=C2)OC

InChI

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