2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[oxo-(prop-2-enylamino)methyl]-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C21H23N5O2S2/c1-2-11-22-20(28)23-19(27)15-30-21-25-24-18(14-17-9-6-13-29-17)26(21)12-10-16-7-4-3-5-8-16/h2-9,13H,1,10-12,14-15H2,(H2,22,23,27,28)