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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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