(4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5-oxidanylidene-3-phenyl-pyrazole-1-carbothioamide

Systemtic Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5-oxidanylidene-3-phenyl-pyrazole-1-carbothioamide Openeye Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazono)-5-oxo-3-phenyl-pyrazole-1-carbothioamide CAS Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5-oxo-3-phenyl-1-pyrazolecarbothioamide IUPAC Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5-oxo-3-phenylpyrazole-1-carbothioamide Traditional Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazono)-5-keto-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C17H12N6OS2 MolecularWeight: 380.44678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=NC4=CC=CC=C4S3)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=N/NC3=NC4=CC=CC=C4S3)C(=S)N

InChI

InChI=1S/C17H12N6OS2/c18-16(25)23-15(24)14(13(22-23)10-6-2-1-3-7-10)20-21-17-19-11-8-4-5-9-12(11)26-17/h1-9H,(H2,18,25)(H,19,21)/b20-14+