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

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Openeye Name: 3-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclopentanone CAS Name: 3-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-cyclopentanone IUPAC Name: 3-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Traditional Name: 3-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]cyclopentanone Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SC4CCC(=O)C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SC4CCC(=O)C4

InChI

InChI=1S/C24H27N3OS/c1-24(2,3)19-11-9-18(10-12-19)22-25-26-23(29-21-14-13-20(28)15-21)27(22)16-17-7-5-4-6-8-17/h4-12,21H,13-16H2,1-3H3