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

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-8-methoxy-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-8-methoxy-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-8-methoxy-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-8-methoxy-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(1H-benzimidazol-2-ylmethylthio)-8-methoxy-5H-[1,2,4]triazin[5,6-b]indole Formula: C18H14N6OS MolecularWeight: 362.40836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C18H14N6OS/c1-25-10-6-7-12-11(8-10)16-17(21-12)22-18(24-23-16)26-9-15-19-13-4-2-3-5-14(13)20-15/h2-8H,9H2,1H3,(H,19,20)(H,21,22,24)