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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-3-ylethylideneamino)ethanamide Openeye Name: 2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(3-pyridyl)ethylideneamino]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[1-(3-pyridinyl)ethylideneamino]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-3-ylethylideneamino)acetamide Traditional Name: 2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[1-(3-pyridyl)ethylideneamino]acetamide Formula: C23H21N7OS MolecularWeight: 443.52414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N7OS/c1-16-5-7-20(8-6-16)30-22(18-9-12-24-13-10-18)28-29-23(30)32-15-21(31)27-26-17(2)19-4-3-11-25-14-19/h3-14H,15H2,1-2H3,(H,27,31)