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

Systemtic Name: 1-piperidin-1-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one Openeye Name: 1-(1-piperidyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one CAS Name: 1-(1-piperidinyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-propanone IUPAC Name: 1-piperidin-1-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one Traditional Name: 1-piperidino-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)propan-1-one Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

CC(C(=O)N1CCCCC1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C17H19N5OS/c1-11(16(23)22-9-5-2-6-10-22)24-17-19-15-14(20-21-17)12-7-3-4-8-13(12)18-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,21)