2-azanyl-4-(3-nitrophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-nitrophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile Openeye Name: 2-amino-4-(3-nitrophenyl)-4H-benzothiopheno[3,2-b]pyran-3-carbonitrile CAS Name: 2-amino-4-(3-nitrophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-nitrophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile Traditional Name: 2-amino-4-(3-nitrophenyl)-4H-benzothiopheno[3,2-b]pyran-3-carbonitrile Formula: C18H11N3O3S MolecularWeight: 349.36324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11N3O3S/c19-9-13-15(10-4-3-5-11(8-10)21(22)23)17-16(24-18(13)20)12-6-1-2-7-14(12)25-17/h1-8,15H,20H2