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

Systemtic Name: 2-[[4-azanyl-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C19H20ClN5O2S MolecularWeight: 417.9124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2N)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2N)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN5O2S/c20-15-6-8-16(9-7-15)27-12-17-23-24-19(25(17)21)28-13-18(26)22-11-10-14-4-2-1-3-5-14/h1-9H,10-13,21H2,(H,22,26)