2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenethyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: N-phenethyl-2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: 2-[[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: N-phenethyl-2-[[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C27H24N6OS2 MolecularWeight: 512.64906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)NCCC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)NCCC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H24N6OS2/c1-19-9-11-22(12-10-19)33-25(21-8-5-14-28-16-21)31-32-27(33)36-18-24-30-23(17-35-24)26(34)29-15-13-20-6-3-2-4-7-20/h2-12,14,16-17H,13,15,18H2,1H3,(H,29,34)