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

Systemtic Name: N-[(3-chlorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide Openeye Name: N-[(3-chlorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide CAS Name: N-[(3-chlorophenyl)methylthio]-N-[(2-methoxyphenyl)methyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide IUPAC Name: N-[(3-chlorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide Traditional Name: N-[(3-chlorobenzyl)thio]-N-o-anisyl-4-(4-phenethyl-1,2,4-triazol-3-yl)valeramide Formula: C30H33ClN4O2S MolecularWeight: 549.12662

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)N(CC1=CC=CC=C1OC)SCC2=CC(=CC=C2)Cl)C3=NN=CN3CCC4=CC=CC=C4

Isomeric SMILES

CC(CCC(=O)N(CC1=CC=CC=C1OC)SCC2=CC(=CC=C2)Cl)C3=NN=CN3CCC4=CC=CC=C4

InChI

InChI=1S/C30H33ClN4O2S/c1-23(30-33-32-22-34(30)18-17-24-9-4-3-5-10-24)15-16-29(36)35(20-26-12-6-7-14-28(26)37-2)38-21-25-11-8-13-27(31)19-25/h3-14,19,22-23H,15-18,20-21H2,1-2H3