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

Systemtic Name: N-[(4-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide Openeye Name: 4-(4-phenethyl-1,2,4-triazol-3-yl)-N-(p-tolylmethylsulfanyl)-N-(tetrahydrofuran-2-ylmethyl)pentanamide CAS Name: N-[(4-methylphenyl)methylthio]-N-(2-oxolanylmethyl)-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide IUPAC Name: N-[(4-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide Traditional Name: N-[(4-methylbenzyl)thio]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-(tetrahydrofurfuryl)valeramide Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSN(CC2CCCO2)C(=O)CCC(C)C3=NN=CN3CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSN(CC2CCCO2)C(=O)CCC(C)C3=NN=CN3CCC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O2S/c1-22-10-13-25(14-11-22)20-35-32(19-26-9-6-18-34-26)27(33)15-12-23(2)28-30-29-21-31(28)17-16-24-7-4-3-5-8-24/h3-5,7-8,10-11,13-14,21,23,26H,6,9,12,15-20H2,1-2H3