4-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylcarbamothioyl)benzamide

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylcarbamothioyl)benzamide Openeye Name: 4-morpholinosulfonyl-N-(1H-1,2,4-triazol-5-ylcarbamothioyl)benzamide CAS Name: 4-(4-morpholinylsulfonyl)-N-[sulfanylidene-(1H-1,2,4-triazol-5-ylamino)methyl]benzamide IUPAC Name: 4-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylcarbamothioyl)benzamide Traditional Name: 4-morpholinosulfonyl-N-(1H-1,2,4-triazol-5-ylthiocarbamoyl)benzamide Formula: C14H16N6O4S2 MolecularWeight: 396.44464

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC=NN3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC=NN3

InChI

InChI=1S/C14H16N6O4S2/c21-12(17-14(25)18-13-15-9-16-19-13)10-1-3-11(4-2-10)26(22,23)20-5-7-24-8-6-20/h1-4,9H,5-8H2,(H3,15,16,17,18,19,21,25)