(4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]pyrazol-3-one Openeye Name: (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-[1-(2-thienylmethylamino)ethylidene]pyrazol-3-one CAS Name: (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]-3-pyrazolone IUPAC Name: (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]pyrazol-3-one Traditional Name: (4E)-2-(1H-benzimidazol-2-yl)-5-methyl-4-[1-(2-thenylamino)ethylidene]-2-pyrazolin-3-one Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC2=CC=CS2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\C)/NCC2=CC=CS2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H17N5OS/c1-11(19-10-13-6-5-9-25-13)16-12(2)22-23(17(16)24)18-20-14-7-3-4-8-15(14)21-18/h3-9,19H,10H2,1-2H3,(H,20,21)/b16-11+