N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[6-(4-nitrophenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[6-(4-nitrophenyl)pyridazin-3-yl]thio]acetamide Formula: C20H15N5O3S2 MolecularWeight: 437.4948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O3S2/c1-12-2-7-16-17(10-12)30-20(21-16)22-18(26)11-29-19-9-8-15(23-24-19)13-3-5-14(6-4-13)25(27)28/h2-10H,11H2,1H3,(H,21,22,26)