N-(4-methylphenyl)-2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-methylphenyl)-2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: N-(4-methylphenyl)-2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-methylphenyl)-2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H25N5OS/c1-18-10-12-22(13-11-18)27-24(31)19(2)32-25-29-28-23(21-9-6-15-26-17-21)30(25)16-14-20-7-4-3-5-8-20/h3-13,15,17,19H,14,16H2,1-2H3,(H,27,31)