N,3-dimethyl-5-oxidanylidene-1-(phenylcarbamothioylamino)-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: N,3-dimethyl-5-oxidanylidene-1-(phenylcarbamothioylamino)-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: N,3-dimethyl-5-oxo-1-(phenylcarbamothioylamino)-2H-triazol-3-ium-4-carboxamide CAS Name: 1-[[anilino(sulfanylidene)methyl]amino]-N,3-dimethyl-5-oxo-2H-triazol-3-ium-4-carboxamide IUPAC Name: N,3-dimethyl-5-oxo-1-(phenylcarbamothioylamino)-2H-triazol-3-ium-4-carboxamide Traditional Name: 5-keto-N,3-dimethyl-1-(phenylthiocarbamoylamino)-2H-triazol-3-ium-4-carboxamide Formula: C12H15N6O2S+ MolecularWeight: 307.3515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1