5-azanyl-3-methyl-1-(3-methyl-1,4-dihydroquinoxalin-2-yl)pyrazol-1-ium-4-thione

Systemtic Name: 5-azanyl-3-methyl-1-(3-methyl-1,4-dihydroquinoxalin-2-yl)pyrazol-1-ium-4-thione Openeye Name: 5-amino-3-methyl-1-(3-methyl-1,4-dihydroquinoxalin-2-yl)pyrazol-1-ium-4-thione CAS Name: 5-amino-3-methyl-1-(3-methyl-1,4-dihydroquinoxalin-2-yl)-4-pyrazol-1-iumthione IUPAC Name: 5-amino-3-methyl-1-(3-methyl-1,4-dihydroquinoxalin-2-yl)pyrazol-1-ium-4-thione Traditional Name: 5-amino-3-methyl-1-(3-methyl-1,4-dihydroquinoxalin-2-yl)pyrazol-1-ium-4-thione Formula: C13H14N5S+ MolecularWeight: 272.34876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=CC=CC=C2N1)[N+]3=C(C(=S)C(=N3)C)N

Isomeric SMILES

CC1=C(NC2=CC=CC=C2N1)[N+]3=C(C(=S)C(=N3)C)N

InChI

InChI=1S/C13H13N5S/c1-7-11(19)12(14)18(17-7)13-8(2)15-9-5-3-4-6-10(9)16-13/h3-6H,1-2H3,(H3,14,15,16,17,19)/p+1