2-[methyl-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]-N-propyl-ethanamide

Systemtic Name: 2-[methyl-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]-N-propyl-ethanamide Openeye Name: 2-[methyl-[[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]-N-propyl-acetamide CAS Name: 2-[methyl-[[4-phenyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]-N-propylacetamide IUPAC Name: 2-[methyl-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]-N-propylacetamide Traditional Name: 2-[methyl-[[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]-N-propyl-acetamide Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N6OS/c1-3-11-22-18(27)14-24(2)15-25-20(28)26(17-9-5-4-6-10-17)19(23-25)16-8-7-12-21-13-16/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,22,27)