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

Systemtic Name: 3-butylsulfanyl-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-butylsulfanyl-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-one CAS Name: 3-(butylthio)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-butylsulfanyl-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-(butylthio)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-one Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=O)N1C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCSC1=NNC(=O)N1C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H17N3O2S/c1-3-4-9-19-13-15-14-12(17)16(13)10-5-7-11(18-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,14,17)