6-(aminomethyl)-3-phenyl-1-propan-2-ylidene-6-sulfanyl-1,3,5-triazinan-1-ium-2,4-dione

Systemtic Name: 6-(aminomethyl)-3-phenyl-1-propan-2-ylidene-6-sulfanyl-1,3,5-triazinan-1-ium-2,4-dione Openeye Name: 6-(aminomethyl)-1-isopropylidene-3-phenyl-6-sulfanyl-1,3,5-triazinan-1-ium-2,4-dione CAS Name: 6-(aminomethyl)-6-mercapto-3-phenyl-1-propan-2-ylidene-1,3,5-triazinan-1-ium-2,4-dione IUPAC Name: 6-(aminomethyl)-3-phenyl-1-propan-2-ylidene-6-sulfanyl-1,3,5-triazinan-1-ium-2,4-dione Traditional Name: 6-(aminomethyl)-1-isopropylidene-6-mercapto-3-phenyl-1,3,5-triazinan-1-ium-2,4-quinone Formula: C13H17N4O2S+ MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1C(=O)N(C(=O)NC1(CN)S)C2=CC=CC=C2)C

Isomeric SMILES

CC(=[N+]1C(=O)N(C(=O)NC1(CN)S)C2=CC=CC=C2)C

InChI

InChI=1S/C13H16N4O2S/c1-9(2)17-12(19)16(10-6-4-3-5-7-10)11(18)15-13(17,20)8-14/h3-7H,8,14H2,1-2H3,(H-,15,18,20)/p+1