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

Systemtic Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-3-methyl-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazono)-3-methyl-5-oxo-pyrazole-1-carbothioamide CAS Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-3-methyl-5-oxo-1-pyrazolecarbothioamide IUPAC Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-3-methyl-5-oxopyrazole-1-carbothioamide Traditional Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazono)-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C12H10N6OS2 MolecularWeight: 318.3774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=NC3=CC=CC=C3S2)C(=S)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=NC3=CC=CC=C3S2)C(=S)N

InChI

InChI=1S/C12H10N6OS2/c1-6-9(10(19)18(17-6)11(13)20)15-16-12-14-7-4-2-3-5-8(7)21-12/h2-5H,1H3,(H2,13,20)(H,14,16)/b15-9+