4-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-23(2,3)18-11-13-19(14-12-18)29-16-21-25-26-22(27(21)24)30-15-7-10-20(28)17-8-5-4-6-9-17/h4-6,8-9,11-14H,7,10,15-16,24H2,1-3H3