7-chloranyl-3-methyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-10-ium-1-thione; phenylazanide

Systemtic Name: 7-chloranyl-3-methyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-10-ium-1-thione; phenylazanide Openeye Name: 7-chloro-3-methyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-10-ium-1-thione; phenylazanide CAS Name: 7-chloro-3-methyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-10-ium-1-thione; phenylazanide IUPAC Name: 7-chloro-3-methyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-10-ium-1-thione; phenylazanide Traditional Name: 7-chloro-3-methyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-10-ium-1-thione; phenylazanide Formula: C16H14ClN5S MolecularWeight: 343.83386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN=C3C=C(C=CC3=[N+]2C(=S)N1)Cl.C1=CC=C(C=C1)[NH-]

Isomeric SMILES

CN1C2=CN=C3C=C(C=CC3=[N+]2C(=S)N1)Cl.C1=CC=C(C=C1)[NH-]

InChI

InChI=1S/C10H7ClN4S.C6H6N/c1-14-9-5-12-7-4-6(11)2-3-8(7)15(9)10(16)13-14;7-6-4-2-1-3-5-6/h2-5H,1H3;1-5,7H/q;-1/p+1