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

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

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)NC(C)(C)C)C3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)NC(C)(C)C)C3=CC=CO3

InChI

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