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

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-(o-tolylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-[(2-methylphenyl)methylthio]-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-[(2-methylbenzyl)thio]-5H-[1,2,4]triazin[5,6-b]indole Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C17H14N4S/c1-11-6-2-3-7-12(11)10-22-17-19-16-15(20-21-17)13-8-4-5-9-14(13)18-16/h2-9H,10H2,1H3,(H,18,19,21)