N-tert-butyl-2-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-tert-butyl-2-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-tert-butyl-2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-tert-butyl-2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-tert-butyl-2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-tert-butyl-2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN4O2S/c1-15(20(28)24-22(2,3)4)30-21-26-25-19(27(21)16-10-6-5-7-11-16)14-29-18-13-9-8-12-17(18)23/h5-13,15H,14H2,1-4H3,(H,24,28)