4-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]thiomorpholin-4-ium CAS Name: 4-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]thiomorpholin-4-ium Traditional Name: 4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)benzyl]thiomorpholin-4-ium Formula: C12H15N5S MolecularWeight: 261.346

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC=CC=C2C3=NN=N[N-]3

Isomeric SMILES

C1CSCC[NH+]1CC2=CC=CC=C2C3=NN=N[N-]3

InChI

InChI=1S/C12H14N5S/c1-2-4-11(12-13-15-16-14-12)10(3-1)9-17-5-7-18-8-6-17/h1-4H,5-9H2/q-1/p+1