3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=CN1C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C(=O)C)SC1=NN=CN1C2=CC(=CC=C2)OC

InChI

InChI=1S/C13H15N3O2S/c1-9(17)10(2)19-13-15-14-8-16(13)11-5-4-6-12(7-11)18-3/h4-8,10H,1-3H3