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

Systemtic Name: 4-[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C18H15N4O4S- MolecularWeight: 383.4011

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3=CC=CO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3=CC=CO3

InChI

InChI=1S/C18H16N4O4S/c1-2-9-22-16(14-4-3-10-26-14)20-21-18(22)27-11-15(23)19-13-7-5-12(6-8-13)17(24)25/h2-8,10H,1,9,11H2,(H,19,23)(H,24,25)/p-1