N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]methyl]benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]methyl]benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-4-[[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]methyl]benzamide CAS Name: N-(2-amino-2-oxoethyl)-4-[[[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]methyl]benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-4-[[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]methyl]benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-4-[[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]methyl]benzamide Formula: C19H20N6O3S2 MolecularWeight: 444.5305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N

InChI

InChI=1S/C19H20N6O3S2/c20-15(26)11-22-18(28)13-5-3-12(4-6-13)10-21-16(27)7-8-25-17(23-24-19(25)29)14-2-1-9-30-14/h1-6,9H,7-8,10-11H2,(H2,20,26)(H,21,27)(H,22,28)(H,24,29)