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

Systemtic Name: 3-(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(3-chloro-6-nitro-benzothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-(3-chloro-6-nitro-benzothiophen-2-yl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C19H11ClN4O3S MolecularWeight: 410.83364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H11ClN4O3S/c1-23-14-5-3-2-4-13(14)22-19(23)12(9-21)17(25)18-16(20)11-7-6-10(24(26)27)8-15(11)28-18/h2-8,12H,1H3