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

Systemtic Name: 8-methyl-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-methyl-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 8-methyl-3-(phenethylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-methyl-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-methyl-3-(phenethylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCCC4=CC=CC=C4

InChI

InChI=1S/C18H16N4S/c1-12-7-8-15-14(11-12)16-17(19-15)20-18(22-21-16)23-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,20,22)