2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethoxypropylcarbamoyl)ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethoxypropylcarbamoyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethoxypropylcarbamoyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(3-ethoxypropylamino)-oxomethyl]acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethoxypropylcarbamoyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-ethoxypropylcarbamoyl)acetamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)NC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOCCCNC(=O)NC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H31N5O3S/c1-6-29-13-7-12-22-19(28)23-17(27)14-30-20-25-24-18(26(20)5)15-8-10-16(11-9-15)21(2,3)4/h8-11H,6-7,12-14H2,1-5H3,(H2,22,23,27,28)