4-[2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-benzoate

Systemtic Name: 4-[2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-benzoate Openeye Name: 4-[[2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylbenzoate IUPAC Name: 4-[[2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-benzoate Formula: C21H17N4O4S- MolecularWeight: 421.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N4O4S/c1-12-9-14(20(27)28)7-8-15(12)22-18(26)11-30-21-24-23-19(25(21)2)17-10-13-5-3-4-6-16(13)29-17/h3-10H,11H2,1-2H3,(H,22,26)(H,27,28)/p-1