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

Systemtic Name: 2-azanyl-4-[4-(diethylamino)-3-nitro-phenyl]-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile Openeye Name: 2-amino-4-[4-(diethylamino)-3-nitro-phenyl]-4H-benzothiopheno[3,2-b]pyran-3-carbonitrile CAS Name: 2-amino-4-[4-(diethylamino)-3-nitrophenyl]-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile IUPAC Name: 2-amino-4-[4-(diethylamino)-3-nitrophenyl]-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile Traditional Name: 2-amino-4-[4-(diethylamino)-3-nitro-phenyl]-4H-benzothiopheno[3,2-b]pyran-3-carbonitrile Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O3S/c1-3-25(4-2)16-10-9-13(11-17(16)26(27)28)19-15(12-23)22(24)29-20-14-7-5-6-8-18(14)30-21(19)20/h5-11,19H,3-4,24H2,1-2H3