5-azanyl-3-morpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-morpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-morpholino-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(4-morpholinyl)-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-morpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-mesityl-3-morpholino-1,2,4-triazole-1-carbothioamide Formula: C16H22N6OS MolecularWeight: 346.45048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)N2C(=NC(=N2)N3CCOCC3)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)N2C(=NC(=N2)N3CCOCC3)N)C

InChI

InChI=1S/C16H22N6OS/c1-10-8-11(2)13(12(3)9-10)18-16(24)22-14(17)19-15(20-22)21-4-6-23-7-5-21/h8-9H,4-7H2,1-3H3,(H,18,24)(H2,17,19,20)