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

Systemtic Name: propan-2-yl 4-chloranyl-3-[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[2-[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-chloro-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]-4-chloro-benzoic acid isopropyl ester Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3

InChI

InChI=1S/C21H21ClN4O4S/c1-4-9-26-19(17-6-5-10-29-17)24-25-21(26)31-12-18(27)23-16-11-14(7-8-15(16)22)20(28)30-13(2)3/h4-8,10-11,13H,1,9,12H2,2-3H3,(H,23,27)