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

Systemtic Name: 5-azanyl-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-N-methyl-3-morpholino-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methyl-3-(4-morpholinyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-methyl-3-morpholino-N-[(E)-piperonylideneamino]-1,2,4-triazole-1-carbothioamide Formula: C16H19N7O3S MolecularWeight: 389.43216

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)N1C(=NC(=N1)N2CCOCC2)N)N=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C(=S)N1C(=NC(=N1)N2CCOCC2)N)/N=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H19N7O3S/c1-21(18-9-11-2-3-12-13(8-11)26-10-25-12)16(27)23-14(17)19-15(20-23)22-4-6-24-7-5-22/h2-3,8-9H,4-7,10H2,1H3,(H2,17,19,20)/b18-9+