N-[4-(2-chloranylphenoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(2-chloranylphenoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(2-chlorophenoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-(2-chlorophenoxy)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[4-(2-chlorophenoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(2-chlorophenoxy)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H17ClN4O2S MolecularWeight: 436.91398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)Cl

InChI

InChI=1S/C22H17ClN4O2S/c23-19-3-1-2-4-20(19)29-18-11-9-17(10-12-18)26-21(28)16-7-5-15(6-8-16)13-30-22-24-14-25-27-22/h1-12,14H,13H2,(H,26,28)(H,24,25,27)