3-methylsulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-4-ium-5-amine

Systemtic Name: 3-methylsulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-4-ium-5-amine Openeye Name: 4-benzyl-3-methylsulfanyl-1H-1,2,4-triazol-4-ium-5-amine CAS Name: 3-(methylthio)-4-(phenylmethyl)-1H-1,2,4-triazol-4-ium-5-amine IUPAC Name: 4-benzyl-3-methylsulfanyl-1H-1,2,4-triazol-4-ium-5-amine Traditional Name: [4-benzyl-3-(methylthio)-1H-1,2,4-triazol-4-ium-5-yl]amine Formula: C10H13N4S+ MolecularWeight: 221.30202

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=[N+]1CC2=CC=CC=C2)N

Isomeric SMILES

CSC1=NNC(=[N+]1CC2=CC=CC=C2)N

InChI

InChI=1S/C10H12N4S/c1-15-10-13-12-9(11)14(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12)/p+1