3-[(2-oxidanylideneindol-1-ium-3-yl)amino]-2-sulfanylidene-4aH-quinazolin-4-one

Systemtic Name: 3-[(2-oxidanylideneindol-1-ium-3-yl)amino]-2-sulfanylidene-4aH-quinazolin-4-one Openeye Name: 3-[(2-oxoindol-1-ium-3-yl)amino]-2-thioxo-4aH-quinazolin-4-one CAS Name: 3-[(2-oxo-3-indol-1-iumyl)amino]-2-sulfanylidene-4aH-quinazolin-4-one IUPAC Name: 3-[(2-oxoindol-1-ium-3-yl)amino]-2-sulfanylidene-4aH-quinazolin-4-one Traditional Name: 3-[(2-ketoindol-1-ium-3-yl)amino]-2-thioxo-4aH-quinazolin-4-one Formula: C16H11N4O2S+ MolecularWeight: 323.34914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=S)N(C2=O)NC3=C4C=CC=CC4=[NH+]C3=O)C=C1

Isomeric SMILES

C1=CC2C(=NC(=S)N(C2=O)NC3=C4C=CC=CC4=[NH+]C3=O)C=C1

InChI

InChI=1S/C16H10N4O2S/c21-14-13(9-5-1-3-7-11(9)17-14)19-20-15(22)10-6-2-4-8-12(10)18-16(20)23/h1-8,10H,(H,17,19,21)/p+1