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

Systemtic Name: 4-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide Openeye Name: 4-[[5-(2-furyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide CAS Name: 4-[[5-(2-furanyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-propylbutanamide IUPAC Name: 4-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylbutanamide Traditional Name: 4-[[5-(2-furyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-propyl-butyramide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-3-12-21-18(25)11-7-14-27-20-23-22-19(17-10-6-13-26-17)24(20)16-9-5-4-8-15(16)2/h4-6,8-10,13H,3,7,11-12,14H2,1-2H3,(H,21,25)