2-(1H-benzimidazol-2-yl)-3-(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-3-(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-benzothiophen-2-yl)-3-oxo-propanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-benzothiophen-2-yl)-3-keto-propionitrile Formula: C18H9ClN4O3S MolecularWeight: 396.80706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H9ClN4O3S/c19-15-10-6-5-9(23(25)26)7-14(10)27-17(15)16(24)11(8-20)18-21-12-3-1-2-4-13(12)22-18/h1-7,11H,(H,21,22)