5-propyl-3-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 5-propyl-3-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-propyl-3-(4-pyridylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole CAS Name: 5-propyl-3-(pyridin-4-ylmethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-propyl-3-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-propyl-3-(4-pyridylmethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C18H17N5S MolecularWeight: 335.42608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC=NC=C4

Isomeric SMILES

CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC=NC=C4

InChI

InChI=1S/C18H17N5S/c1-2-11-23-15-6-4-3-5-14(15)16-17(23)20-18(22-21-16)24-12-13-7-9-19-10-8-13/h3-10H,2,11-12H2,1H3