3-[(3-azanyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)sulfanyl-phenylazanyl-methylidene]pentane-2,4-dione

Systemtic Name: 3-[(3-azanyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)sulfanyl-phenylazanyl-methylidene]pentane-2,4-dione Openeye Name: 3-[(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)sulfanyl-anilino-methylene]pentane-2,4-dione CAS Name: 3-[[(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)thio]-anilinomethylidene]pentane-2,4-dione IUPAC Name: 3-[(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)sulfanyl-anilinomethylidene]pentane-2,4-dione Traditional Name: 3-[[(3-amino-5-keto-2-pyrazolin-4-yl)thio]-anilino-methylene]pentane-2,4-dione Formula: C15H16N4O3S MolecularWeight: 332.37754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=CC=CC=C1)SC2C(=NNC2=O)N)C(=O)C

Isomeric SMILES

CC(=O)C(=C(NC1=CC=CC=C1)SC2C(=NNC2=O)N)C(=O)C

InChI

InChI=1S/C15H16N4O3S/c1-8(20)11(9(2)21)15(17-10-6-4-3-5-7-10)23-12-13(16)18-19-14(12)22/h3-7,12,17H,1-2H3,(H2,16,18)(H,19,22)