2-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenylacetamide Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3CC3)COC4=CC=CC=C4Cl

Isomeric SMILES

CCC(CC)N1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3CC3)COC4=CC=CC=C4Cl

InChI

InChI=1S/C25H29ClN4O2S/c1-3-19(4-2)30-22(16-32-21-13-9-8-12-20(21)26)28-29-25(30)33-23(17-10-6-5-7-11-17)24(31)27-18-14-15-18/h5-13,18-19,23H,3-4,14-16H2,1-2H3,(H,27,31)