but-3-ynoyl-[4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid

Systemtic Name: but-3-ynoyl-[4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: but-3-ynoyl-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: 1-oxobut-3-ynyl-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: but-3-ynoyl-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: but-3-ynoyl-[4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(=O)N(C1=CC=C(C=C1)C2=NNC(=O)CC2)C(=O)S

Isomeric SMILES

C#CCC(=O)N(C1=CC=C(C=C1)C2=NNC(=O)CC2)C(=O)S

InChI

InChI=1S/C15H13N3O3S/c1-2-3-14(20)18(15(21)22)11-6-4-10(5-7-11)12-8-9-13(19)17-16-12/h1,4-7H,3,8-9H2,(H,17,19)(H,21,22)