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

Systemtic Name: 2-[[4-butyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[4-butyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[4-butyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[4-butyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[4-butyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C20H31N5O2S MolecularWeight: 405.55744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CN(C)CC(=O)NCCC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(=NN(C1=S)CN(C)CC(=O)NCCC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H31N5O2S/c1-5-7-13-24-19(16-8-10-17(27-4)11-9-16)22-25(20(24)28)15-23(3)14-18(26)21-12-6-2/h8-11H,5-7,12-15H2,1-4H3,(H,21,26)