3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-N,N-diethyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-N,N-diethyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N,N-diethyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-N,N-diethyl-5H-[1,2,4]triazin[5,6-b]indole-8-sulfonamide Formula: C21H20ClN5O3S2 MolecularWeight: 489.9982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O3S2/c1-3-27(4-2)32(29,30)15-9-10-17-16(11-15)19-20(23-17)24-21(26-25-19)31-12-18(28)13-5-7-14(22)8-6-13/h5-11H,3-4,12H2,1-2H3,(H,23,24,26)