4-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide

Systemtic Name: 4-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide Openeye Name: 4-[[5-(2-furyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide CAS Name: 4-[[5-(2-furanyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylbutanamide IUPAC Name: 4-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylbutanamide Traditional Name: 4-[[5-(2-furyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-butyramide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=C3)C4=CC=CO4

InChI

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