2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenyl-ethanethioamide

Systemtic Name: 2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenyl-ethanethioamide Openeye Name: 2-cyano-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenyl-thioacetamide CAS Name: 2-cyano-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-N-phenylethanethioamide IUPAC Name: 2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenylethanethioamide Traditional Name: 2-cyano-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-phenyl-thioacetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NNC(=C(C#N)C(=S)NC3=CC=CC=C3)N2C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NNC(=C(C#N)C(=S)NC3=CC=CC=C3)N2C4=CC=CC=C4

InChI

InChI=1S/C21H20N6OS/c22-15-18(20(29)23-16-7-3-1-4-8-16)19-24-25-21(26-11-13-28-14-12-26)27(19)17-9-5-2-6-10-17/h1-10,24H,11-14H2,(H,23,29)