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

Systemtic Name: N-[(3-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide Openeye Name: N-[(3-chlorophenyl)methylsulfanyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-(tetrahydrofuran-2-ylmethyl)pentanamide CAS Name: N-[(3-chlorophenyl)methylthio]-N-(2-oxolanylmethyl)-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide IUPAC Name: N-[(3-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide Traditional Name: N-[(3-chlorobenzyl)thio]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-(tetrahydrofurfuryl)valeramide Formula: C27H33ClN4O2S MolecularWeight: 513.09452

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)N(CC1CCCO1)SCC2=CC(=CC=C2)Cl)C3=NN=CN3CCC4=CC=CC=C4

Isomeric SMILES

CC(CCC(=O)N(CC1CCCO1)SCC2=CC(=CC=C2)Cl)C3=NN=CN3CCC4=CC=CC=C4

InChI

InChI=1S/C27H33ClN4O2S/c1-21(27-30-29-20-31(27)15-14-22-7-3-2-4-8-22)12-13-26(33)32(18-25-11-6-16-34-25)35-19-23-9-5-10-24(28)17-23/h2-5,7-10,17,20-21,25H,6,11-16,18-19H2,1H3