2,5,5-trimethyl-4-(phenylmethyl)-1,2,4-triazolidin-1-ium-3-thione

Systemtic Name: 2,5,5-trimethyl-4-(phenylmethyl)-1,2,4-triazolidin-1-ium-3-thione Openeye Name: 4-benzyl-2,5,5-trimethyl-1,2,4-triazolidin-1-ium-3-thione CAS Name: 2,5,5-trimethyl-4-(phenylmethyl)-1,2,4-triazolidin-1-ium-3-thione IUPAC Name: 4-benzyl-2,5,5-trimethyl-1,2,4-triazolidin-1-ium-3-thione Traditional Name: 4-benzyl-2,5,5-trimethyl-1,2,4-triazolidin-1-ium-3-thione Formula: C12H18N3S+ MolecularWeight: 236.35642

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Descriptors Computed from Structure

Canonical SMILES:

CC1([NH2+]N(C(=S)N1CC2=CC=CC=C2)C)C

Isomeric SMILES

CC1([NH2+]N(C(=S)N1CC2=CC=CC=C2)C)C

InChI

InChI=1S/C12H17N3S/c1-12(2)13-14(3)11(16)15(12)9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3/p+1