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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(2-thienylmethylamino)methylene]pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(thiophen-2-ylmethylamino)methylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(2-thenylamino)methylene]-2-pyrazolin-3-one Formula: C17H14N4OS2 MolecularWeight: 354.44926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCC2=CC=CS2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=CNCC2=CC=CS2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H14N4OS2/c1-11-13(10-18-9-12-5-4-8-23-12)16(22)21(20-11)17-19-14-6-2-3-7-15(14)24-17/h2-8,10,18H,9H2,1H3