N-(3-methylbutylcarbamoyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isopentylcarbamoyl)acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(isoamylcarbamoyl)acetamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H25N5O2S2/c1-15(2)10-11-22-20(28)23-18(27)14-30-21-25-24-19(17-9-6-12-29-17)26(21)13-16-7-4-3-5-8-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,22,23,27,28)