2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C28H26N4O2S/c33-26-23-15-6-7-16-24(23)27(34)31(26)18-35-28-30-29-25(32(28)21-12-2-1-3-13-21)17-20-11-8-10-19-9-4-5-14-22(19)20/h4-11,14-16,21H,1-3,12-13,17-18H2