3-[5-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-[(3S)-3-cyano-4-imino-2-oxo-pentyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-[[(3S)-3-cyano-4-imino-2-oxopentyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-[(3S)-3-cyano-4-imino-2-oxopentyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-[[(3S)-3-cyano-4-imino-2-keto-pentyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C19H24N6O3S2 MolecularWeight: 448.56226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H24N6O3S2/c1-5-25(6-2)30(27,28)15-9-7-8-14(10-15)18-22-23-19(24(18)4)29-12-17(26)16(11-20)13(3)21/h7-10,16,21H,5-6,12H2,1-4H3/t16-/m1/s1