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

Systemtic Name: 2-[2-[[5-(2-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[[4-allyl-5-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 2-[[2-[[5-(2-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[[5-(2-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(4-allyl-5-o-phenetyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C22H23N5O3S/c1-3-13-27-21(16-10-6-8-12-18(16)30-4-2)25-26-22(27)31-14-19(28)24-17-11-7-5-9-15(17)20(23)29/h3,5-12H,1,4,13-14H2,2H3,(H2,23,29)(H,24,28)