2-(1,3-benzothiazol-2-yl)-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-[5-(3-nitrophenyl)-2-furyl]-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-[5-(3-nitrophenyl)-2-furanyl]-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-3-[5-(3-nitrophenyl)-2-furyl]propionitrile Formula: C20H11N3O4S MolecularWeight: 389.38404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H11N3O4S/c21-11-14(20-22-15-6-1-2-7-18(15)28-20)19(24)17-9-8-16(27-17)12-4-3-5-13(10-12)23(25)26/h1-10,14H