N-tert-butyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide

Systemtic Name: N-tert-butyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide Openeye Name: N-tert-butyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide CAS Name: N-tert-butyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)propanamide IUPAC Name: N-tert-butyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide Traditional Name: N-tert-butyl-3-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)propionamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCSC1=NC2=C(C3=CC=CC=C3N2)N=N1

Isomeric SMILES

CC(C)(C)NC(=O)CCSC1=NC2=C(C3=CC=CC=C3N2)N=N1

InChI

InChI=1S/C16H19N5OS/c1-16(2,3)19-12(22)8-9-23-15-18-14-13(20-21-15)10-6-4-5-7-11(10)17-14/h4-7H,8-9H2,1-3H3,(H,19,22)(H,17,18,21)