3-[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]anilino)propionamide Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(CCC(=O)N)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(CCC(=O)N)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H24N6O2S/c1-18-7-9-21(10-8-18)31-24(19-11-14-27-15-12-19)28-29-25(31)34-17-23(33)30(16-13-22(26)32)20-5-3-2-4-6-20/h2-12,14-15H,13,16-17H2,1H3,(H2,26,32)