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

Systemtic Name: 4-(1,3-benzothiazol-2-ylhydrazinylidene)-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylhydrazono)-3-(4-nitrophenyl)-5-oxo-pyrazole-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylhydrazinylidene)-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylhydrazinylidene)-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylhydrazono)-5-keto-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C17H11N7O3S2 MolecularWeight: 425.44434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N7O3S2/c18-16(28)23-15(25)14(13(22-23)9-5-7-10(8-6-9)24(26)27)20-21-17-19-11-3-1-2-4-12(11)29-17/h1-8H,(H2,18,28)(H,19,21)