2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3-chlorophenyl)methylthio]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3-chlorobenzyl)thio]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C29H31ClN4O2S MolecularWeight: 535.10004

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC(=CC=C3)Cl)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(CC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC(=CC=C3)Cl)C4=CC(=CC=C4)OC

InChI

InChI=1S/C29H31ClN4O2S/c1-21(24-11-7-13-26(18-24)36-2)16-27(37-19-23-10-6-12-25(30)17-23)28(35)34(29-31-20-32-33-29)15-14-22-8-4-3-5-9-22/h3-13,17-18,20-21,27H,14-16,19H2,1-2H3,(H,31,32,33)