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1-methyl-5-(methylcarbamoyl)-3-(phenylcarbamothioylamino)-1,2,3-triazol-1-ium-4-olate

1-methyl-5-(methylcarbamoyl)-3-(phenylcarbamothioylamino)-1,2,3-triazol-1-ium-4-olate

Systemtic Name:1-methyl-5-(methylcarbamoyl)-3-(phenylcarbamothioylamino)-1,2,3-triazol-1-ium-4-olate
Openeye Name:1-methyl-5-(methylcarbamoyl)-3-(phenylcarbamothioylamino)triazol-1-ium-4-olate
CAS Name:3-[[anilino(sulfanylidene)methyl]amino]-1-methyl-5-(methylcarbamoyl)-4-triazol-1-iumolate
IUPAC Name:1-methyl-5-(methylcarbamoyl)-3-(phenylcarbamothioylamino)triazol-1-ium-4-olate
Traditional Name:1-methyl-5-(methylcarbamoyl)-3-(phenylthiocarbamoylamino)triazol-1-ium-4-olate
Formula: C12H14N6O2S
MolecularWeight: 306.34356
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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(N(N=[N+]1C)NC(=S)NC2=CC=CC=C2)[O-]


Isomeric SMILES

CNC(=O)C1=C(N(N=[N+]1C)NC(=S)NC2=CC=CC=C2)[O-]


InChI

InChI=1S/C12H14N6O2S/c1-13-10(19)9-11(20)18(16-17(9)2)15-12(21)14-8-6-4-3-5-7-8/h3-7H,1-2H3,(H3-,13,14,15,16,19,20,21)


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