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

Systemtic Name: 5-[(4-butoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-butoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-butoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-butoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(4-butoxybenzyl)thio]-1H-1,2,4-triazole Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CSC2=NC=NN2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CSC2=NC=NN2

InChI

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