4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazol-3-ium-2-amine CAS Name: 4-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-thiazol-3-iumamine IUPAC Name: 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiazol-3-ium-2-yl]amine Formula: C12H12N5S2+ MolecularWeight: 290.38718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=CSC(=[NH+]3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=CSC(=[NH+]3)N

InChI

InChI=1S/C12H11N5S2/c13-11-15-9(6-18-11)7-19-12-14-8-17(16-12)10-4-2-1-3-5-10/h1-6,8H,7H2,(H2,13,15)/p+1