3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H31N3OS/c1-15(26)16(2)27-21-24-23-20(25(21)19-9-7-6-8-10-19)17-11-13-18(14-12-17)22(3,4)5/h11-14,16,19H,6-10H2,1-5H3