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

Systemtic Name: 2-[[3-(furan-2-yl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[4-benzyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-(2-furanyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[4-benzyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[4-benzyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=CO2)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=CO2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O2S/c1-3-11-21-18(26)14-23(2)15-25-20(28)24(13-16-8-5-4-6-9-16)19(22-25)17-10-7-12-27-17/h4-10,12H,3,11,13-15H2,1-2H3,(H,21,26)