N-[(E)-pyridazin-4-ylmethylideneamino]azepane-1-carbothioamide

Systemtic Name: N-[(E)-pyridazin-4-ylmethylideneamino]azepane-1-carbothioamide Openeye Name: N-[(E)-pyridazin-4-ylmethyleneamino]azepane-1-carbothioamide CAS Name: N-[(E)-4-pyridazinylmethylideneamino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-pyridazin-4-ylmethylideneamino]azepane-1-carbothioamide Traditional Name: N-[(E)-pyridazin-4-ylmethyleneamino]azepane-1-carbothioamide Formula: C12H17N5S MolecularWeight: 263.36188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NN=CC2=CN=NC=C2

Isomeric SMILES

C1CCCN(CC1)C(=S)N/N=C/C2=CN=NC=C2

InChI

InChI=1S/C12H17N5S/c18-12(17-7-3-1-2-4-8-17)16-15-10-11-5-6-13-14-9-11/h5-6,9-10H,1-4,7-8H2,(H,16,18)/b15-10+