sodium (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-1-id-2-ylidene)pyrazol-3-one

Systemtic Name: sodium (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-1-id-2-ylidene)pyrazol-3-one Openeye Name: sodium (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-1-id-2-ylidene)pyrazol-3-one CAS Name: sodium (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methyl-2-quinolin-1-idylidene)-3-pyrazolone IUPAC Name: sodium (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-1-id-2-ylidene)pyrazol-3-one Traditional Name: sodium (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-1-id-2-ylidene)-2-pyrazolin-3-one Formula: C21H15N4NaOS MolecularWeight: 394.42477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C)[N-]C5=CC=CC=C15.[Na+]

Isomeric SMILES

CC1=C/C(=C\2/C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C)/[N-]C5=CC=CC=C15.[Na+]

InChI

InChI=1S/C21H16N4OS.Na/c1-12-11-17(22-15-8-4-3-7-14(12)15)19-13(2)24-25(20(19)26)21-23-16-9-5-6-10-18(16)27-21;/h3-11H,1-2H3,(H,22,24,26);/q;+1/p-1