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

Systemtic Name: 2-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O)C4CCCCC4

InChI

InChI=1S/C23H28N4O2S/c1-2-14-26-20(17-10-4-3-5-11-17)24-25-23(26)30-16-9-8-15-27-21(28)18-12-6-7-13-19(18)22(27)29/h2,6-7,12-13,17H,1,3-5,8-11,14-16H2