1-pyrrolidin-1-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one

Systemtic Name: 1-pyrrolidin-1-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one Openeye Name: 1-pyrrolidin-1-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one CAS Name: 1-(1-pyrrolidinyl)-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-propanone IUPAC Name: 1-pyrrolidin-1-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one Traditional Name: 1-pyrrolidino-3-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)propan-1-one Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCSC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

C1CCN(C1)C(=O)CCSC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C16H17N5OS/c22-13(21-8-3-4-9-21)7-10-23-16-18-15-14(19-20-16)11-5-1-2-6-12(11)17-15/h1-2,5-6H,3-4,7-10H2,(H,17,18,20)