9-nitro-2-(phenylmethyl)-3-sulfanylidene-6H-[1,3]thiazino[6,5-c]quinoline-1,5-dione

Systemtic Name: 9-nitro-2-(phenylmethyl)-3-sulfanylidene-6H-[1,3]thiazino[6,5-c]quinoline-1,5-dione Openeye Name: 2-benzyl-9-nitro-3-thioxo-6H-[1,3]thiazino[6,5-c]quinoline-1,5-dione CAS Name: 9-nitro-2-(phenylmethyl)-3-sulfanylidene-6H-[1,3]thiazino[6,5-c]quinoline-1,5-dione IUPAC Name: 2-benzyl-9-nitro-3-sulfanylidene-6H-[1,3]thiazino[6,5-c]quinoline-1,5-dione Traditional Name: 2-benzyl-9-nitro-3-thioxo-6H-[1,3]thiazino[6,5-c]quinoline-1,5-quinone Formula: C18H11N3O4S2 MolecularWeight: 397.42764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C(=O)NC4=C3C=C(C=C4)[N+](=O)[O-])SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C(=O)NC4=C3C=C(C=C4)[N+](=O)[O-])SC2=S

InChI

InChI=1S/C18H11N3O4S2/c22-16-15-14(12-8-11(21(24)25)6-7-13(12)19-16)17(23)20(18(26)27-15)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)