5-azanyl-N-[(E)-(4-cyanophenyl)methylideneamino]-N-methyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-N-[(E)-(4-cyanophenyl)methylideneamino]-N-methyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[(E)-(4-cyanophenyl)methyleneamino]-N-methyl-3-morpholino-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-[(E)-(4-cyanophenyl)methylideneamino]-N-methyl-3-(4-morpholinyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-[(E)-(4-cyanophenyl)methylideneamino]-N-methyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-[(E)-(4-cyanobenzylidene)amino]-N-methyl-3-morpholino-1,2,4-triazole-1-carbothioamide Formula: C16H18N8OS MolecularWeight: 370.43212

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)N1C(=NC(=N1)N2CCOCC2)N)N=CC3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C(=S)N1C(=NC(=N1)N2CCOCC2)N)/N=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H18N8OS/c1-22(19-11-13-4-2-12(10-17)3-5-13)16(26)24-14(18)20-15(21-24)23-6-8-25-9-7-23/h2-5,11H,6-9H2,1H3,(H2,18,20,21)/b19-11+