2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)heptanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)heptanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)heptanamide CAS Name: 2-[(3-chlorophenyl)methylthio]-7-methoxy-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)heptanamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)heptanamide Traditional Name: 2-[(3-chlorobenzyl)thio]-7-methoxy-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)enanthamide Formula: C25H31ClN4O2S MolecularWeight: 487.05724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

COCCCCCC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H31ClN4O2S/c1-32-16-7-3-6-13-23(33-18-21-11-8-12-22(26)17-21)24(31)30(25-27-19-28-29-25)15-14-20-9-4-2-5-10-20/h2,4-5,8-12,17,19,23H,3,6-7,13-16,18H2,1H3,(H,27,28,29)