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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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