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

Systemtic Name: N-butan-2-yl-4-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[[5-(2-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-butanamide CAS Name: N-butan-2-yl-4-[[5-(2-furanyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-butan-2-yl-4-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: 4-[[5-(2-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-sec-butyl-butyramide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCCSC1=NN=C(N1C2=CC=CC(=C2)C)C3=CC=CO3

Isomeric SMILES

CCC(C)NC(=O)CCCSC1=NN=C(N1C2=CC=CC(=C2)C)C3=CC=CO3

InChI

InChI=1S/C21H26N4O2S/c1-4-16(3)22-19(26)11-7-13-28-21-24-23-20(18-10-6-12-27-18)25(21)17-9-5-8-15(2)14-17/h5-6,8-10,12,14,16H,4,7,11,13H2,1-3H3,(H,22,26)