2-[2-[1-(1,3-benzothiazol-2-yldiazenyl)-2-methyl-propylidene]hydrazinyl]-4-nitro-phenolate

Systemtic Name: 2-[2-[1-(1,3-benzothiazol-2-yldiazenyl)-2-methyl-propylidene]hydrazinyl]-4-nitro-phenolate Openeye Name: 2-[2-[1-(1,3-benzothiazol-2-ylazo)-2-methyl-propylidene]hydrazino]-4-nitro-phenolate CAS Name: 2-[2-[1-(1,3-benzothiazol-2-ylazo)-2-methylpropylidene]hydrazinyl]-4-nitrophenolate IUPAC Name: 2-[2-[1-(1,3-benzothiazol-2-yldiazenyl)-2-methylpropylidene]hydrazinyl]-4-nitrophenolate Traditional Name: 2-[N'-[1-(1,3-benzothiazol-2-ylazo)-2-methyl-propylidene]hydrazino]-4-nitro-phenolate Formula: C17H15N6O3S- MolecularWeight: 383.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=NNC1=C(C=CC(=C1)[N+](=O)[O-])[O-])N=NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C(=NNC1=C(C=CC(=C1)[N+](=O)[O-])[O-])N=NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N6O3S/c1-10(2)16(20-19-13-9-11(23(25)26)7-8-14(13)24)21-22-17-18-12-5-3-4-6-15(12)27-17/h3-10,19,24H,1-2H3/p-1