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

Systemtic Name: 2-azanyl-4-(3-nitrophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile hydrochloride Openeye Name: 2-amino-4-(3-nitrophenyl)-4H-benzothiopheno[3,2-b]pyran-3-carbonitrile hydrochloride CAS Name: 2-amino-4-(3-nitrophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile hydrochloride IUPAC Name: 2-amino-4-(3-nitrophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile hydrochloride Traditional Name: 2-amino-4-(3-nitrophenyl)-4H-benzothiopheno[3,2-b]pyran-3-carbonitrile hydrochloride Formula: C18H12ClN3O3S MolecularWeight: 385.82418

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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-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H11N3O3S.ClH/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;1H