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

Systemtic Name: 6-chloranyl-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C5=CC=CO5

InChI

InChI=1S/C21H20ClN5O2S/c22-13-8-9-16-15(11-13)20(28)24-18(23-16)12-30-21-26-25-19(17-7-4-10-29-17)27(21)14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,23,24,28)