N-butyl-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide

Systemtic Name: N-butyl-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide Openeye Name: N-butyl-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide CAS Name: N-butyl-3-(phenethylthio)-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide IUPAC Name: N-butyl-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide Traditional Name: N-butyl-3-(phenethylthio)-5H-[1,2,4]triazin[5,6-b]indole-8-sulfonamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCCC4=CC=CC=C4

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2S2/c1-2-3-12-22-30(27,28)16-9-10-18-17(14-16)19-20(23-18)24-21(26-25-19)29-13-11-15-7-5-4-6-8-15/h4-10,14,22H,2-3,11-13H2,1H3,(H,23,24,26)