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

Systemtic Name: 5-azanyl-N-methyl-3-morpholin-4-yl-N-[(E)-(4-nitrophenyl)methylideneamino]-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-methyl-3-morpholino-N-[(E)-(4-nitrophenyl)methyleneamino]-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-methyl-3-(4-morpholinyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-methyl-3-morpholin-4-yl-N-[(E)-(4-nitrophenyl)methylideneamino]-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-methyl-3-morpholino-N-[(E)-(4-nitrobenzylidene)amino]-1,2,4-triazole-1-carbothioamide Formula: C15H18N8O3S MolecularWeight: 390.42022

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)N1C(=NC(=N1)N2CCOCC2)N)N=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C(=S)N1C(=NC(=N1)N2CCOCC2)N)/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N8O3S/c1-20(17-10-11-2-4-12(5-3-11)23(24)25)15(27)22-13(16)18-14(19-22)21-6-8-26-9-7-21/h2-5,10H,6-9H2,1H3,(H2,16,18,19)/b17-10+