2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethoxypropylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethoxypropylcarbamoyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethoxypropylcarbamoyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-[(3-ethoxypropylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethoxypropylcarbamoyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(3-ethoxypropylcarbamoyl)acetamide Formula: C21H31N5O3S2 MolecularWeight: 465.63254

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CCOCCCNC(=O)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H31N5O3S2/c1-2-29-12-7-11-22-20(28)23-19(27)15-31-21-25-24-18(14-17-10-6-13-30-17)26(21)16-8-4-3-5-9-16/h6,10,13,16H,2-5,7-9,11-12,14-15H2,1H3,(H2,22,23,27,28)