5-methyl-6-phenyl-2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-6-phenyl-2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]isoindole-1,3-dione Openeye Name: 5-methyl-6-phenyl-2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]isoindoline-1,3-dione CAS Name: 5-methyl-6-phenyl-2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]isoindole-1,3-dione IUPAC Name: 5-methyl-6-phenyl-2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]isoindole-1,3-dione Traditional Name: 5-methyl-6-phenyl-2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]isoindoline-1,3-quinone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C3=CC=CC=C3)C(=O)N(C2=O)CCCSC4=NC=NN4

Isomeric SMILES

CC1=CC2=C(C=C1C3=CC=CC=C3)C(=O)N(C2=O)CCCSC4=NC=NN4

InChI

InChI=1S/C20H18N4O2S/c1-13-10-16-17(11-15(13)14-6-3-2-4-7-14)19(26)24(18(16)25)8-5-9-27-20-21-12-22-23-20/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,22,23)