1,1-bis(oxidanylidene)-N-[(1-phenylpyrazol-4-yl)methyl]thian-4-amine

Systemtic Name: 1,1-bis(oxidanylidene)-N-[(1-phenylpyrazol-4-yl)methyl]thian-4-amine Openeye Name: 1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thian-4-amine CAS Name: 1,1-dioxo-N-[(1-phenyl-4-pyrazolyl)methyl]-4-thianamine IUPAC Name: 1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thian-4-amine Traditional Name: (1,1-diketothian-4-yl)-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)CCC1NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H19N3O2S/c19-21(20)8-6-14(7-9-21)16-10-13-11-17-18(12-13)15-4-2-1-3-5-15/h1-5,11-12,14,16H,6-10H2