1-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)C(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)C(C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-6-16-10-8-11-17(7-2)20(16)27-21(18-12-9-13-24-14-18)25-26-22(27)29-15-19(28)23(3,4)5/h8-14H,6-7,15H2,1-5H3