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

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2C3CC3)COC4=CC=CC=C4Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2C3CC3)COC4=CC=CC=C4Cl

InChI

InChI=1S/C21H27ClN4O2S/c22-17-9-5-6-10-18(17)28-13-19-24-25-21(26(19)16-11-12-16)29-14-20(27)23-15-7-3-1-2-4-8-15/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,23,27)