3-hexylsulfanyl-5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-hexylsulfanyl-5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole Openeye Name: 3-hexylsulfanyl-5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole CAS Name: 3-(hexylthio)-5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole IUPAC Name: 3-hexylsulfanyl-5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(hexylthio)-5-p-anisyl-1H-1,2,4-triazole Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NNC(=N1)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCSC1=NNC(=N1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H23N3OS/c1-3-4-5-6-11-21-16-17-15(18-19-16)12-13-7-9-14(20-2)10-8-13/h7-10H,3-6,11-12H2,1-2H3,(H,17,18,19)