5-[(4-propoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CSC2=NC=NN2

Isomeric SMILES

CCCOC1=CC=C(C=C1)CSC2=NC=NN2

InChI

InChI=1S/C12H15N3OS/c1-2-7-16-11-5-3-10(4-6-11)8-17-12-13-9-14-15-12/h3-6,9H,2,7-8H2,1H3,(H,13,14,15)