2-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methylamino]-N-propylacetamide Traditional Name: 2-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-amino]-N-propyl-acetamide Formula: C13H25N5OS MolecularWeight: 299.4355

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N=C(N1)C(C)(C)C

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N=C(N1)C(C)(C)C

InChI

InChI=1S/C13H25N5OS/c1-6-7-14-10(19)8-17(5)9-18-12(20)15-11(16-18)13(2,3)4/h6-9H2,1-5H3,(H,14,19)(H,15,16,20)