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

Systemtic Name: 2-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5OS/c19-15-8-4-7-14(11-15)17-22-23-18(24(17)20)26-12-16(25)21-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12,20H2,(H,21,25)