2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethylamino]ethanol; ethanedioic acid

Systemtic Name: 2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethylamino]ethanol; ethanedioic acid Openeye Name: 2-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethylamino]ethanol; oxalic acid CAS Name: 2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethylamino]ethanol; oxalic acid IUPAC Name: 2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethylamino]ethanol; oxalic acid Traditional Name: 2-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]ethylamino]ethanol; oxalic acid Formula: C17H28N4O5S MolecularWeight: 400.49302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCNCCO)C2CCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCN1C(=NN=C1SCCNCCO)C2CCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H26N4OS.C2H2O4/c1-2-10-19-14(13-6-4-3-5-7-13)17-18-15(19)21-12-9-16-8-11-20;3-1(4)2(5)6/h2,13,16,20H,1,3-12H2;(H,3,4)(H,5,6)