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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NCC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1CS(=O)(=O)CCC1NCC2=CC=C(C=C2)N3C=CN=C3

InChI

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