N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-3-nitro-benzamide Formula: C20H12FN3O3S2 MolecularWeight: 425.455983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H12FN3O3S2/c21-13-6-8-14(9-7-13)28-18-10-5-12(11-16(18)24(26)27)19(25)23-20-22-15-3-1-2-4-17(15)29-20/h1-11H,(H,22,23,25)