2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-propanamide

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-propanamide Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)propanamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)propanamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)propionamide Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NNC(=N3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NNC(=N3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2S/c1-14(21(28)24-18-9-6-15-4-2-3-5-16(15)12-18)30-22-25-20(26-27-22)13-29-19-10-7-17(23)8-11-19/h2-12,14H,13H2,1H3,(H,24,28)(H,25,26,27)