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

Systemtic Name: 2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4CCCCC4

InChI

InChI=1S/C21H24N4O2S/c1-2-12-24-18(15-8-4-3-5-9-15)22-23-21(24)28-14-13-25-19(26)16-10-6-7-11-17(16)20(25)27/h2,6-7,10-11,15H,1,3-5,8-9,12-14H2