2-[4-(1,3-benzothiazol-2-yl)phenoxy]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-5-nitro-benzonitrile CAS Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-5-nitrobenzonitrile IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-5-nitrobenzonitrile Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-5-nitro-benzonitrile Formula: C20H11N3O3S MolecularWeight: 373.38464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H11N3O3S/c21-12-14-11-15(23(24)25)7-10-18(14)26-16-8-5-13(6-9-16)20-22-17-3-1-2-4-19(17)27-20/h1-11H