3-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4-methyl-benzamide

Systemtic Name: 3-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4-methyl-benzamide Openeye Name: 3-[[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-benzamide CAS Name: 3-[[2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4-methylbenzamide IUPAC Name: 3-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylbenzamide Traditional Name: 3-[[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-methyl-benzamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H19N5O3S/c1-14-9-10-15(20(23)29)12-17(14)24-19(28)13-31-22-26-25-21(18-8-5-11-30-18)27(22)16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H2,23,29)(H,24,28)