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

Systemtic Name: N-butyl-3-(2-dimethylaminoethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide Openeye Name: N-butyl-3-(2-dimethylaminoethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide CAS Name: N-butyl-3-(2-dimethylaminoethylthio)-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide IUPAC Name: N-butyl-3-(2-dimethylaminoethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide Traditional Name: N-butyl-3-(2-dimethylaminoethylthio)-5H-[1,2,4]triazin[5,6-b]indole-8-sulfonamide Formula: C17H24N6O2S2 MolecularWeight: 408.54146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCCN(C)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCCN(C)C

InChI

InChI=1S/C17H24N6O2S2/c1-4-5-8-18-27(24,25)12-6-7-14-13(11-12)15-16(19-14)20-17(22-21-15)26-10-9-23(2)3/h6-7,11,18H,4-5,8-10H2,1-3H3,(H,19,20,22)