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

Systemtic Name: 4-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H25N3O3S/c1-31-21-16-14-20(15-17-21)29-25(22-11-6-7-13-24(22)32-2)27-28-26(29)33-18-8-12-23(30)19-9-4-3-5-10-19/h3-7,9-11,13-17H,8,12,18H2,1-2H3