4-[[5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C26H23ClN4O2S MolecularWeight: 491.00442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)COC5=CC=CC=C5Cl

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)COC5=CC=CC=C5Cl

InChI

InChI=1S/C26H23ClN4O2S/c27-22-8-4-5-9-23(22)33-16-24-29-30-26(31(24)21-14-15-21)34-17-18-10-12-19(13-11-18)25(32)28-20-6-2-1-3-7-20/h1-13,21H,14-17H2,(H,28,32)