N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-[(4-methoxyphenyl)methyl]butanamide

Systemtic Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-[(4-methoxyphenyl)methyl]butanamide Openeye Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-[(4-methoxyphenyl)methyl]butanamide CAS Name: N-[(3-chlorophenyl)methylthio]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-[(4-methoxyphenyl)methyl]butanamide IUPAC Name: N-[(3-chlorophenyl)methylsulfanyl]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-[(4-methoxyphenyl)methyl]butanamide Traditional Name: N-[(3-chlorobenzyl)thio]-4-[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-p-anisyl-butyramide Formula: C27H26Cl2N4O2S MolecularWeight: 541.49194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C(=O)CCCC2=NN=CN2C3=CC(=CC=C3)Cl)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN(C(=O)CCCC2=NN=CN2C3=CC(=CC=C3)Cl)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H26Cl2N4O2S/c1-35-25-13-11-20(12-14-25)17-33(36-18-21-5-2-6-22(28)15-21)27(34)10-4-9-26-31-30-19-32(26)24-8-3-7-23(29)16-24/h2-3,5-8,11-16,19H,4,9-10,17-18H2,1H3