5-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione

Systemtic Name: 5-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione Openeye Name: 5-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione CAS Name: 5-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione IUPAC Name: 5-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione Traditional Name: 5-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-quinone Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2C3=CC4=C(C=C3)C(=O)NC4=O

Isomeric SMILES

C1CC1C2=NNC(=S)N2C3=CC4=C(C=C3)C(=O)NC4=O

InChI

InChI=1S/C13H10N4O2S/c18-11-8-4-3-7(5-9(8)12(19)14-11)17-10(6-1-2-6)15-16-13(17)20/h3-6H,1-2H2,(H,16,20)(H,14,18,19)