3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(phenethylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(phenethylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C17H14N4S/c1-2-6-12(7-3-1)10-11-22-17-19-16-15(20-21-17)13-8-4-5-9-14(13)18-16/h1-9H,10-11H2,(H,18,19,21)