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

Systemtic Name: 3-[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[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=CC(=C2)C(=O)[O-])C3=CC=CO3

Isomeric SMILES

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

InChI

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