2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one Formula: C26H28ClN5OS MolecularWeight: 494.05142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C26H28ClN5OS/c1-26(2,3)17-10-8-16(9-11-17)23-30-31-25(32(23)19-6-4-5-7-19)34-15-22-28-21-14-18(27)12-13-20(21)24(33)29-22/h8-14,19H,4-7,15H2,1-3H3,(H,28,29,33)