3-[4-azanyl-5-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-azanyl-5-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-[(E)-4-amino-3-cyano-2-oxo-pent-3-enyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[[(E)-4-amino-3-cyano-2-oxopent-3-enyl]thio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-[[(E)-4-amino-3-cyano-2-keto-pent-3-enyl]thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C18H23N7O3S2 MolecularWeight: 449.55032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H23N7O3S2/c1-4-24(5-2)30(27,28)14-8-6-7-13(9-14)17-22-23-18(25(17)21)29-11-16(26)15(10-19)12(3)20/h6-9H,4-5,11,20-21H2,1-3H3/b15-12+