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

Systemtic Name: 5-methyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-methyl-3-(3-pyridylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole CAS Name: 5-methyl-3-(3-pyridinylmethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-methyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-methyl-3-(3-pyridylmethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CN=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CN=CC=C4

InChI

InChI=1S/C16H13N5S/c1-21-13-7-3-2-6-12(13)14-15(21)18-16(20-19-14)22-10-11-5-4-8-17-9-11/h2-9H,10H2,1H3