N-(3,5-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[4-(2-furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[4-(2-furanylmethyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[4-(2-furfuryl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=N4)C

InChI

InChI=1S/C22H21N5O2S/c1-15-10-16(2)12-17(11-15)24-20(28)14-30-22-26-25-21(19-7-3-4-8-23-19)27(22)13-18-6-5-9-29-18/h3-12H,13-14H2,1-2H3,(H,24,28)