2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine; ethanedioic acid

Systemtic Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine; ethanedioic acid Openeye Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine; oxalic acid CAS Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]ethanamine; oxalic acid IUPAC Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine; oxalic acid Traditional Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]ethylamine; oxalic acid Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22N4S.C2H2O4/c17-11-12-21-16-18-15(13-7-3-1-4-8-13)20(19-16)14-9-5-2-6-10-14;3-1(4)2(5)6/h2,5-6,9-10,13H,1,3-4,7-8,11-12,17H2;(H,3,4)(H,5,6)