10-nitro-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one

Systemtic Name: 10-nitro-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 10-nitro-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 10-nitro-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 10-nitro-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 10-nitro-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C3=NN(C(=O)CC31)C4=CC=CC=C4

Isomeric SMILES

C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C3=NN(C(=O)CC31)C4=CC=CC=C4

InChI

InChI=1S/C18H15N3O3S/c22-17-10-12-8-9-25-16-7-6-14(21(23)24)11-15(16)18(12)19-20(17)13-4-2-1-3-5-13/h1-7,11-12H,8-10H2