3-methyl-N-[4-[3-(2-methylpropoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[3-(2-methylpropoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]butanamide Openeye Name: N-[4-[3-isobutoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[4-[3-(2-methylpropoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[3-(2-methylpropoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]butanamide Traditional Name: N-[4-[3-isobutoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-3-methyl-butyramide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)N2C(=NC(=N2)OCC(C)C)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)N2C(=NC(=N2)OCC(C)C)C3=CC=CS3

InChI

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