3-[2-(1H-indol-3-yl)ethyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[2-(1H-indol-3-yl)ethyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-[2-(1H-indol-3-yl)ethyl]-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(1H-indol-3-yl)ethyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-[2-(1H-indol-3-yl)ethyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-[2-(1H-indol-3-yl)ethyl]-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C20H14N4O3S2 MolecularWeight: 422.48016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCN3C(=O)C4=C(C5=C(S4)C=CC(=C5)[N+](=O)[O-])NC3=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCN3C(=O)C4=C(C5=C(S4)C=CC(=C5)[N+](=O)[O-])NC3=S

InChI

InChI=1S/C20H14N4O3S2/c25-19-18-17(14-9-12(24(26)27)5-6-16(14)29-18)22-20(28)23(19)8-7-11-10-21-15-4-2-1-3-13(11)15/h1-6,9-10,21H,7-8H2,(H,22,28)