N-pyridin-4-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide

Systemtic Name: N-pyridin-4-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide Openeye Name: N-(4-pyridyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide CAS Name: N-pyridin-4-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)butanamide IUPAC Name: N-pyridin-4-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide Traditional Name: N-(4-pyridyl)-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)butyramide Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=NC=C1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

CCC(C(=O)NC1=CC=NC=C1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C18H16N6OS/c1-2-14(17(25)20-11-7-9-19-10-8-11)26-18-22-16-15(23-24-18)12-5-3-4-6-13(12)21-16/h3-10,14H,2H2,1H3,(H,19,20,25)(H,21,22,24)