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

Systemtic Name: 2-cyano-N-(4-methoxyphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)ethanethioamide Openeye Name: 2-cyano-N-(4-methoxyphenyl)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)thioacetamide CAS Name: 2-cyano-N-(4-methoxyphenyl)-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]ethanethioamide IUPAC Name: 2-cyano-N-(4-methoxyphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)ethanethioamide Traditional Name: 2-cyano-N-(4-methoxyphenyl)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)thioacetamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)C(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)C(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N

InChI

InChI=1S/C22H22N6O2S/c1-29-18-9-7-16(8-10-18)24-21(31)19(15-23)20-25-26-22(27-11-13-30-14-12-27)28(20)17-5-3-2-4-6-17/h2-10,25H,11-14H2,1H3,(H,24,31)