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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N4O2S/c1-3-11-24-18(15-8-6-7-14(2)12-15)22-23-21(24)28-13-25-19(26)16-9-4-5-10-17(16)20(25)27/h3-10,12H,1,11,13H2,2H3