1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one

Systemtic Name: 1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Openeye Name: 1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one CAS Name: 1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)-1-propanone IUPAC Name: 1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Traditional Name: 1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propan-1-one Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NC=NN2

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NC=NN2

InChI

InChI=1S/C12H13N3O2S/c1-8(18-12-13-7-14-15-12)11(16)9-3-5-10(17-2)6-4-9/h3-8H,1-2H3,(H,13,14,15)