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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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