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

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

CC(C(=O)N1CCCC1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C16H17N5OS/c1-10(15(22)21-8-4-5-9-21)23-16-18-14-13(19-20-16)11-6-2-3-7-12(11)17-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,17,18,20)