2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-ethoxyphenoxy)ethyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-ethoxyphenoxy)ethyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C20H29N5O3S/c1-2-27-16-8-10-17(11-9-16)28-13-12-22-18(26)14-29-20-24-23-19(25(20)21)15-6-4-3-5-7-15/h8-11,15H,2-7,12-14,21H2,1H3,(H,22,26)