3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-quinazolin-4-olate Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C(=C3C=CC=CC3=NC2=S)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN2C(=C3C=CC=CC3=NC2=S)[O-]

InChI

InChI=1S/C14H17N3OS/c18-13-11-5-1-2-6-12(11)15-14(19)17(13)10-9-16-7-3-4-8-16/h1-2,5-6,18H,3-4,7-10H2