5-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholino-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-morpholinyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-homoveratryl-3-morpholino-1,2,4-triazole-1-carbothioamide Formula: C17H24N6O3S MolecularWeight: 392.47586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2C(=NC(=N2)N3CCOCC3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2C(=NC(=N2)N3CCOCC3)N)OC

InChI

InChI=1S/C17H24N6O3S/c1-24-13-4-3-12(11-14(13)25-2)5-6-19-17(27)23-15(18)20-16(21-23)22-7-9-26-10-8-22/h3-4,11H,5-10H2,1-2H3,(H,19,27)(H2,18,20,21)