prop-2-enyl N'-[(E)-pyridazin-4-ylmethylideneamino]carbamimidothioate

Systemtic Name: prop-2-enyl N'-[(E)-pyridazin-4-ylmethylideneamino]carbamimidothioate Openeye Name: 2-allyl-3-[(E)-pyridazin-4-ylmethyleneamino]isothiourea CAS Name: N'-[(E)-4-pyridazinylmethylideneamino]carbamimidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N'-[(E)-pyridazin-4-ylmethylideneamino]carbamimidothioate Traditional Name: 2-allyl-3-[(E)-pyridazin-4-ylmethyleneamino]isothiourea Formula: C9H11N5S MolecularWeight: 221.28214

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(=NN=CC1=CN=NC=C1)N

Isomeric SMILES

C=CCS/C(=N\N=C\C1=CN=NC=C1)/N

InChI

InChI=1S/C9H11N5S/c1-2-5-15-9(10)14-13-7-8-3-4-11-12-6-8/h2-4,6-7H,1,5H2,(H2,10,14)/b13-7+