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

Systemtic Name: 2-[[4-azanyl-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NN=C(N3N)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NN=C(N3N)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O2S/c22-15-8-10-16(11-9-15)29-12-19-25-26-21(27(19)23)30-13-20(28)24-18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13,23H2,(H,24,28)