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

Systemtic Name: 5-azanyl-N-[(E)-(4-chlorophenyl)methylideneamino]-N-methyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[(E)-(4-chlorophenyl)methyleneamino]-N-methyl-3-morpholino-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-N-methyl-3-(4-morpholinyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-N-methyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-[(E)-(4-chlorobenzylidene)amino]-N-methyl-3-morpholino-1,2,4-triazole-1-carbothioamide Formula: C15H18ClN7OS MolecularWeight: 379.86772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN7OS/c1-21(18-10-11-2-4-12(16)5-3-11)15(25)23-13(17)19-14(20-23)22-6-8-24-9-7-22/h2-5,10H,6-9H2,1H3,(H2,17,19,20)/b18-10+