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

Systemtic Name: N-tert-butyl-2-[[3-(furan-2-yl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]ethanamide Openeye Name: 2-[[4-benzyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[3-(2-furanyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide IUPAC Name: 2-[[4-benzyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-tert-butylacetamide Traditional Name: 2-[[4-benzyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-tert-butyl-acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-21(2,3)22-18(27)14-24(4)15-26-20(29)25(13-16-9-6-5-7-10-16)19(23-26)17-11-8-12-28-17/h5-12H,13-15H2,1-4H3,(H,22,27)