3-ethyl-7-[(4-methyl-3-nitro-phenyl)carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-ethyl-7-[(4-methyl-3-nitro-phenyl)carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-[(4-methyl-3-nitro-phenyl)carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[(4-methyl-3-nitroanilino)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-[(4-methyl-3-nitrophenyl)carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-ethyl-7-[(4-methyl-3-nitro-phenyl)carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C18H15N4O4S- MolecularWeight: 383.4011

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H16N4O4S/c1-3-21-17(24)13-7-5-11(8-14(13)20-18(21)27)16(23)19-12-6-4-10(2)15(9-12)22(25)26/h4-9,24H,3H2,1-2H3,(H,19,23)/p-1