1-[4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone Openeye Name: 1-[4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone CAS Name: 1-[4-methoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=NN2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=NN2

InChI

InChI=1S/C12H13N3O2S/c1-8(16)9-3-4-11(17-2)10(5-9)6-18-12-13-7-14-15-12/h3-5,7H,6H2,1-2H3,(H,13,14,15)