5-ethyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-ethyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-[(4-isopentyloxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[[4-(3-methylbutoxy)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[(4-isoamoxybenzyl)thio]-1H-1,2,4-triazole Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C16H23N3OS/c1-4-15-17-16(19-18-15)21-11-13-5-7-14(8-6-13)20-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18,19)