4-tert-butyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-20(2,3)14-6-4-13(5-7-14)18(26)21-12-17-22-23-19(29)24(17)15-8-10-16(11-9-15)25(27)28/h4-11H,12H2,1-3H3,(H,21,26)(H,23,29)