3-(3-phenoxypropylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-(3-phenoxypropylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-(3-phenoxypropylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(3-phenoxypropylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-(3-phenoxypropylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(3-phenoxypropylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCSC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

C1=CC=C(C=C1)OCCCSC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C18H16N4OS/c1-2-7-13(8-3-1)23-11-6-12-24-18-20-17-16(21-22-18)14-9-4-5-10-15(14)19-17/h1-5,7-10H,6,11-12H2,(H,19,20,22)