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

Systemtic Name: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O4S/c1-2-11-23-17(13-7-9-14(10-8-13)25(28)29)21-22-20(23)30-12-24-18(26)15-5-3-4-6-16(15)19(24)27/h2-10H,1,11-12H2