3-(1-benzofuran-2-yl)-4-cyclohexyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-4-cyclohexyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-4-cyclohexyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-4-cyclohexyl-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-4-cyclohexyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-4-cyclohexyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H22N4O3S/c28-27(29)19-11-6-7-16(13-19)15-31-23-25-24-22(26(23)18-9-2-1-3-10-18)21-14-17-8-4-5-12-20(17)30-21/h4-8,11-14,18H,1-3,9-10,15H2