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

Systemtic Name: 2-[[4-azanyl-5-(4-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[4-amino-5-(4-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[4-amino-5-(4-ethylphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[4-amino-5-(4-ethylphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CN=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C17H18N6OS/c1-2-12-5-7-13(8-6-12)16-21-22-17(23(16)18)25-11-15(24)20-14-4-3-9-19-10-14/h3-10H,2,11,18H2,1H3,(H,20,24)