butanal; (Z)-(1-phenylpyridazin-4-ylidene)carbamothioic S-acid

Systemtic Name: butanal; (Z)-(1-phenylpyridazin-4-ylidene)carbamothioic S-acid Openeye Name: butanal; (Z)-(1-phenylpyridazin-4-ylidene)carbamothioic S-acid CAS Name: butanal; (Z)-(1-phenyl-4-pyridazinylidene)carbamothioic S-acid IUPAC Name: butanal; (Z)-(1-phenylpyridazin-4-ylidene)carbamothioic S-acid Traditional Name: butyraldehyde; (Z)-(1-phenylpyridazin-4-ylidene)thiocarbamic S-acid Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=O.C1=CC=C(C=C1)N2C=CC(=NC(=O)S)C=N2

Isomeric SMILES

CCCC=O.C1=CC=C(C=C1)N2C=C/C(=N/C(=O)S)/C=N2

InChI

InChI=1S/C11H9N3OS.C4H8O/c15-11(16)13-9-6-7-14(12-8-9)10-4-2-1-3-5-10;1-2-3-4-5/h1-8H,(H,15,16);4H,2-3H2,1H3/b13-9-;