3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-(1H-indol-3-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C19H14N3O3S- MolecularWeight: 364.39776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O3S/c23-17-14-6-5-11(18(24)25)9-16(14)21-19(26)22(17)8-7-12-10-20-15-4-2-1-3-13(12)15/h1-6,9-10,20H,7-8H2,(H,21,26)(H,24,25)/p-1