N-(furan-2-ylmethyl)-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide

Systemtic Name: N-(furan-2-ylmethyl)-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-(2-furylmethyl)-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-(2-furanylmethyl)-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-(furan-2-ylmethyl)-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-(2-furfuryl)-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeramide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-19-12-14-21(15-13-19)29-24(20-8-3-2-4-9-20)27-28-25(29)32-17-6-5-11-23(30)26-18-22-10-7-16-31-22/h2-4,7-10,12-16H,5-6,11,17-18H2,1H3,(H,26,30)