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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2C)C3=CC=CO3

Isomeric SMILES

CCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2C)C3=CC=CO3

InChI

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