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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4CCCCC4

InChI

InChI=1S/C20H22N4O2S/c1-2-12-23-17(14-8-4-3-5-9-14)21-22-20(23)27-13-24-18(25)15-10-6-7-11-16(15)19(24)26/h2,6-7,10-11,14H,1,3-5,8-9,12-13H2