2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=NC=C4

InChI

InChI=1S/C19H15N5O2S/c1-2-11-23-16(13-7-9-20-10-8-13)21-22-19(23)27-12-24-17(25)14-5-3-4-6-15(14)18(24)26/h2-10H,1,11-12H2