1-[3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N3O3S/c1-5-6-13-26-22(17-7-10-20(28-3)11-8-17)24-25-23(26)30-15-19-14-18(16(2)27)9-12-21(19)29-4/h7-12,14H,5-6,13,15H2,1-4H3