1-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 3,3-dimethyl-1-[[4-(4-phenoxyphenyl)-5-veratryl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H31N3O4S/c1-29(2,3)26(33)19-37-28-31-30-27(18-20-11-16-24(34-4)25(17-20)35-5)32(28)21-12-14-23(15-13-21)36-22-9-7-6-8-10-22/h6-17H,18-19H2,1-5H3