2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C27H31N5OS/c1-27(2,3)19-15-13-18(14-16-19)24-30-31-26(32(24)20-9-5-4-6-10-20)34-17-23-28-22-12-8-7-11-21(22)25(33)29-23/h7-8,11-16,20H,4-6,9-10,17H2,1-3H3,(H,28,29,33)