2-[2-[[5-(4-ethyl-5-methyl-thiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[[5-(4-ethyl-5-methyl-thiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[[4-allyl-5-(4-ethyl-5-methyl-3-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 2-[[2-[[5-(4-ethyl-5-methyl-3-thiophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[[5-(4-ethyl-5-methylthiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[[4-allyl-5-(4-ethyl-5-methyl-3-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)N)C

Isomeric SMILES

CCC1=C(SC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)N)C

InChI

InChI=1S/C21H23N5O2S2/c1-4-10-26-20(16-11-29-13(3)14(16)5-2)24-25-21(26)30-12-18(27)23-17-9-7-6-8-15(17)19(22)28/h4,6-9,11H,1,5,10,12H2,2-3H3,(H2,22,28)(H,23,27)