1,1-bis(oxidanylidene)-N-[(4-pyrazol-1-ylphenyl)methyl]thian-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1CS(=O)(=O)CCC1NCC2=CC=C(C=C2)N3C=CC=N3

InChI

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