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

Systemtic Name: N-butyl-5-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-butyl-5-[[5-(2-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-butyl-5-[[5-(2-furanyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-butyl-5-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-butyl-5-[[5-(2-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]valeramide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCSC1=NN=C(N1C2=CC=CC(=C2)C)C3=CC=CO3

Isomeric SMILES

CCCCNC(=O)CCCCSC1=NN=C(N1C2=CC=CC(=C2)C)C3=CC=CO3

InChI

InChI=1S/C22H28N4O2S/c1-3-4-13-23-20(27)12-5-6-15-29-22-25-24-21(19-11-8-14-28-19)26(22)18-10-7-9-17(2)16-18/h7-11,14,16H,3-6,12-13,15H2,1-2H3,(H,23,27)