2-[[4-azanyl-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(chloranyl)phenyl]ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(chloranyl)phenyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide CAS Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dichlorophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide Traditional Name: 2-[(4-amino-5-m-phenetyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dichlorophenyl)acetamide Formula: C18H17Cl2N5O2S MolecularWeight: 438.33088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2N5O2S/c1-2-27-15-5-3-4-11(6-15)17-23-24-18(25(17)21)28-10-16(26)22-14-8-12(19)7-13(20)9-14/h3-9H,2,10,21H2,1H3,(H,22,26)