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

Systemtic Name: 5-azanyl-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-N-methyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[(E)-(4-dimethylaminophenyl)methyleneamino]-N-methyl-3-morpholino-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-N-methyl-3-(4-morpholinyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-N-methyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-[(E)-[4-(dimethylamino)benzylidene]amino]-N-methyl-3-morpholino-1,2,4-triazole-1-carbothioamide Formula: C17H24N8OS MolecularWeight: 388.49046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NN(C)C(=S)N2C(=NC(=N2)N3CCOCC3)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N/N(C)C(=S)N2C(=NC(=N2)N3CCOCC3)N

InChI

InChI=1S/C17H24N8OS/c1-22(2)14-6-4-13(5-7-14)12-19-23(3)17(27)25-15(18)20-16(21-25)24-8-10-26-11-9-24/h4-7,12H,8-11H2,1-3H3,(H2,18,20,21)/b19-12+