(4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(pyridin-4-ylmethylamino)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(pyridin-4-ylmethylamino)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(4-pyridylmethylamino)methylene]pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(pyridin-4-ylmethylamino)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(pyridin-4-ylmethylamino)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(4-pyridylmethylamino)methylene]-2-pyrazolin-3-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCC2=CC=NC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NCC2=CC=NC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15N5OS/c1-12-14(11-20-10-13-6-8-19-9-7-13)17(24)23(22-12)18-21-15-4-2-3-5-16(15)25-18/h2-9,11,20H,10H2,1H3/b14-11+