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

Systemtic Name: 2-[2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 2-[[2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H21N5O3S/c1-3-11-26-20(14-7-6-8-15(12-14)29-2)24-25-21(26)30-13-18(27)23-17-10-5-4-9-16(17)19(22)28/h3-10,12H,1,11,13H2,2H3,(H2,22,28)(H,23,27)