5-azanyl-2-phenyl-4-[(2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]pyrazol-3-one

Systemtic Name: 5-azanyl-2-phenyl-4-[(2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]pyrazol-3-one Openeye Name: 5-amino-2-phenyl-4-[(2-thioxo-3H-benzimidazol-1-yl)methylene]pyrazol-3-one CAS Name: 5-amino-2-phenyl-4-[(2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-pyrazolone IUPAC Name: 5-amino-2-phenyl-4-[(2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]pyrazol-3-one Traditional Name: 5-amino-2-phenyl-4-[(2-thioxo-3H-benzimidazol-1-yl)methylene]-2-pyrazolin-3-one Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CN3C4=CC=CC=C4NC3=S)C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CN3C4=CC=CC=C4NC3=S)C(=N2)N

InChI

InChI=1S/C17H13N5OS/c18-15-12(16(23)22(20-15)11-6-2-1-3-7-11)10-21-14-9-5-4-8-13(14)19-17(21)24/h1-10H,(H2,18,20)(H,19,24)