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

Systemtic Name: 5-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-methyl-isoindole-1,3-dione Openeye Name: 5-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)-2-methyl-isoindoline-1,3-dione CAS Name: 5-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-methylisoindole-1,3-dione IUPAC Name: 5-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-methylisoindole-1,3-dione Traditional Name: 5-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)-2-methyl-isoindoline-1,3-quinone Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)N3C(=NNC3=S)C4CC4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)N3C(=NNC3=S)C4CC4

InChI

InChI=1S/C14H12N4O2S/c1-17-12(19)9-5-4-8(6-10(9)13(17)20)18-11(7-2-3-7)15-16-14(18)21/h4-7H,2-3H2,1H3,(H,16,21)