N-(2-ethyl-6-methyl-phenyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-(2-furylmethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[4-(2-furanylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-(2-furfuryl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)C)C

InChI

InChI=1S/C25H26N4O2S/c1-4-19-10-6-9-18(3)23(19)26-22(30)16-32-25-28-27-24(20-11-5-8-17(2)14-20)29(25)15-21-12-7-13-31-21/h5-14H,4,15-16H2,1-3H3,(H,26,30)