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

Systemtic Name: 8-ethyl-3-(pyridin-3-ylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-ethyl-3-(3-pyridylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 8-ethyl-3-(3-pyridinylmethylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-ethyl-3-(pyridin-3-ylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-ethyl-3-(3-pyridylmethylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC4=CN=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC4=CN=CC=C4

InChI

InChI=1S/C17H15N5S/c1-2-11-5-6-14-13(8-11)15-16(19-14)20-17(22-21-15)23-10-12-4-3-7-18-9-12/h3-9H,2,10H2,1H3,(H,19,20,22)