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

Systemtic Name: 1-[3-[[5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C28H29N3O3S MolecularWeight: 487.61316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)C(=O)C)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)C(=O)C)OC

InChI

InChI=1S/C28H29N3O3S/c1-4-5-17-34-25-14-11-21(12-15-25)27-29-30-28(31(27)24-9-7-6-8-10-24)35-19-23-18-22(20(2)32)13-16-26(23)33-3/h6-16,18H,4-5,17,19H2,1-3H3