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

Systemtic Name: 2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-prop-2-enyl-ethanethioamide Openeye Name: N-allyl-2-cyano-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)thioacetamide CAS Name: 2-cyano-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-N-prop-2-enylethanethioamide IUPAC Name: 2-cyano-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-N-prop-2-enylethanethioamide Traditional Name: N-allyl-2-cyano-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)thioacetamide Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)C(=C1NN=C(N1C2=CC=CC=C2)N3CCOCC3)C#N

Isomeric SMILES

C=CCNC(=S)C(=C1NN=C(N1C2=CC=CC=C2)N3CCOCC3)C#N

InChI

InChI=1S/C18H20N6OS/c1-2-8-20-17(26)15(13-19)16-21-22-18(23-9-11-25-12-10-23)24(16)14-6-4-3-5-7-14/h2-7,21H,1,8-12H2,(H,20,26)