butanal; (Z)-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioic S-acid

Systemtic Name: butanal; (Z)-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioic S-acid Openeye Name: butanal; (Z)-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioic S-acid CAS Name: butanal; (Z)-(1-phenyl-6-propoxy-4-pyridazinylidene)carbamothioic S-acid IUPAC Name: butanal; (Z)-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamothioic S-acid Traditional Name: butyraldehyde; (Z)-(1-phenyl-6-propoxy-pyridazin-4-ylidene)thiocarbamic S-acid Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=O.CCCOC1=CC(=NC(=O)S)C=NN1C2=CC=CC=C2

Isomeric SMILES

CCCC=O.CCCOC1=C/C(=N/C(=O)S)/C=NN1C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2S.C4H8O/c1-2-8-19-13-9-11(16-14(18)20)10-15-17(13)12-6-4-3-5-7-12;1-2-3-4-5/h3-7,9-10H,2,8H2,1H3,(H,18,20);4H,2-3H2,1H3/b16-11-;