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

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=NC=C5

InChI

InChI=1S/C22H22N6OS/c29-21-17-8-4-5-9-18(17)24-19(25-21)14-30-22-27-26-20(15-10-12-23-13-11-15)28(22)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2,(H,24,25,29)