5-phenethyl-3-(phenylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 5-phenethyl-3-(phenylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-benzylsulfanyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-phenethyl-3-(phenylmethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-benzylsulfanyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(benzylthio)-5-phenethyl-[1,2,4]triazin[5,6-b]indole Formula: C24H20N4S MolecularWeight: 396.5074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC5=CC=CC=C5

InChI

InChI=1S/C24H20N4S/c1-3-9-18(10-4-1)15-16-28-21-14-8-7-13-20(21)22-23(28)25-24(27-26-22)29-17-19-11-5-2-6-12-19/h1-14H,15-17H2