4-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H16N4O2S/c1-9(18)7-8-20-13-16-15-12(17(13)14)10-3-5-11(19-2)6-4-10/h3-6H,7-8,14H2,1-2H3