2-[[5-(4-ethyl-5-methyl-thiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[5-(4-ethyl-5-methyl-thiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-ethyl-5-methyl-3-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-acetamide CAS Name: 2-[[5-(4-ethyl-5-methyl-3-thiophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(4-ethyl-5-methylthiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-ethyl-5-methyl-3-thienyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-acetamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C2=NN=C(N2CC=C)SCC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC=C1C2=NN=C(N2CC=C)SCC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4OS2/c1-4-11-25-20(18-13-27-15(3)17(18)5-2)23-24-21(25)28-14-19(26)22-12-16-9-7-6-8-10-16/h4,6-10,13H,1,5,11-12,14H2,2-3H3,(H,22,26)