4-[(3-bromophenyl)amino]-8-nitro-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-8-nitro-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-8-nitro-benzothiopheno[3,2-b]pyridine-3-carbonitrile CAS Name: 4-(3-bromoanilino)-8-nitro-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile IUPAC Name: 4-(3-bromoanilino)-8-nitro-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-8-nitro-benzothiopheno[3,2-b]pyridine-3-carbonitrile Formula: C18H9BrN4O2S MolecularWeight: 425.25866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C3C(=NC=C2C#N)C4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C3C(=NC=C2C#N)C4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H9BrN4O2S/c19-11-2-1-3-12(6-11)22-16-10(8-20)9-21-17-14-7-13(23(24)25)4-5-15(14)26-18(16)17/h1-7,9H,(H,21,22)