2-[(3-chlorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)butanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)butanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)butanamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)butanamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)butanamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-o-anisyl-4-phenyl-N-(1H-1,2,4-triazol-5-yl)butyramide Formula: C27H27ClN4O2S MolecularWeight: 507.04688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(C2=NC=NN2)C(=O)C(CCC3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1CN(C2=NC=NN2)C(=O)C(CCC3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H27ClN4O2S/c1-34-24-13-6-5-11-22(24)17-32(27-29-19-30-31-27)26(33)25(15-14-20-8-3-2-4-9-20)35-18-21-10-7-12-23(28)16-21/h2-13,16,19,25H,14-15,17-18H2,1H3,(H,29,30,31)