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

Systemtic Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridylmethyl)acetamide Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CN=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CN=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H18N6OS/c28-19(24-13-16-6-4-10-22-12-16)15-29-21-26-25-20(17-7-5-11-23-14-17)27(21)18-8-2-1-3-9-18/h1-12,14H,13,15H2,(H,24,28)