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

Systemtic Name: 2-[[3-[(2-chloranylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[3-[(2-chlorophenoxy)methyl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-[(2-chlorophenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[3-[(2-chlorophenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[3-[(2-chlorophenoxy)methyl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C17H24ClN5O2S MolecularWeight: 397.92276

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)COC2=CC=CC=C2Cl)C

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)COC2=CC=CC=C2Cl)C

InChI

InChI=1S/C17H24ClN5O2S/c1-4-9-19-16(24)10-21(2)12-23-17(26)22(3)15(20-23)11-25-14-8-6-5-7-13(14)18/h5-8H,4,9-12H2,1-3H3,(H,19,24)