3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,4-triazol-4-ylcarbamothioyl)prop-2-enamide

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,4-triazol-4-ylcarbamothioyl)prop-2-enamide Openeye Name: 3-(4-morpholinosulfonylphenyl)-N-(1,2,4-triazol-4-ylcarbamothioyl)prop-2-enamide CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-N-[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]-2-propenamide IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,4-triazol-4-ylcarbamothioyl)prop-2-enamide Traditional Name: 3-(4-morpholinosulfonylphenyl)-N-(1,2,4-triazol-4-ylthiocarbamoyl)acrylamide Formula: C16H18N6O4S2 MolecularWeight: 422.48192

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC(=S)NN3C=NN=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC(=S)NN3C=NN=C3

InChI

InChI=1S/C16H18N6O4S2/c23-15(19-16(27)20-21-11-17-18-12-21)6-3-13-1-4-14(5-2-13)28(24,25)22-7-9-26-10-8-22/h1-6,11-12H,7-10H2,(H2,19,20,23,27)