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

Systemtic Name: 1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N3O2S/c1-23(2,3)20(27)16-29-22-25-24-21(18-10-12-19(28-4)13-11-18)26(22)15-14-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3