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

Systemtic Name: 2-[[4-azanyl-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C14H18ClN5O2S MolecularWeight: 355.84302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NN=C(N1N)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)NC(=O)CSC1=NN=C(N1N)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN5O2S/c1-9(2)17-13(21)8-23-14-19-18-12(20(14)16)7-22-11-5-3-10(15)4-6-11/h3-6,9H,7-8,16H2,1-2H3,(H,17,21)