2-hydroxyethyl-[(Z)-(3-methyl-1-phenyl-5-sulfanylidene-pyrazol-4-ylidene)methyl]azanium

Systemtic Name: 2-hydroxyethyl-[(Z)-(3-methyl-1-phenyl-5-sulfanylidene-pyrazol-4-ylidene)methyl]azanium Openeye Name: 2-hydroxyethyl-[(Z)-(3-methyl-1-phenyl-5-thioxo-pyrazol-4-ylidene)methyl]ammonium CAS Name: 2-hydroxyethyl-[(Z)-(3-methyl-1-phenyl-5-sulfanylidene-4-pyrazolylidene)methyl]ammonium IUPAC Name: 2-hydroxyethyl-[(Z)-(3-methyl-1-phenyl-5-sulfanylidenepyrazol-4-ylidene)methyl]azanium Traditional Name: 2-hydroxyethyl-[(Z)-(3-methyl-1-phenyl-5-thioxo-2-pyrazolin-4-ylidene)methyl]ammonium Formula: C13H16N3OS+ MolecularWeight: 262.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)C1=C[NH2+]CCO)C2=CC=CC=C2

Isomeric SMILES

CC\1=NN(C(=S)/C1=C\[NH2+]CCO)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3OS/c1-10-12(9-14-7-8-17)13(18)16(15-10)11-5-3-2-4-6-11/h2-6,9,14,17H,7-8H2,1H3/p+1/b12-9-