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

Systemtic Name: 3-butylsulfanyl-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-butylsulfanyl-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-(butylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-(butylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCSC1=NNC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H17N3OS/c1-3-4-9-18-13-14-12(15-16-13)10-5-7-11(17-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,14,15,16)