2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(O4)Br

Isomeric SMILES

C1CCC(C(=O)CC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(O4)Br

InChI

InChI=1S/C20H20BrN3O2S/c21-18-12-11-16(26-18)19-22-23-20(24(19)13-14-7-3-1-4-8-14)27-17-10-6-2-5-9-15(17)25/h1,3-4,7-8,11-12,17H,2,5-6,9-10,13H2