N-[2-[(2-nitrophenyl)amino]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-[(2-nitrophenyl)amino]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(2-nitroanilino)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(2-nitroanilino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(2-nitroanilino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[2-(2-nitroanilino)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c23-15(10-5-6-11-13(9-10)20-17(27)21-16(11)24)19-8-7-18-12-3-1-2-4-14(12)22(25)26/h1-6,9,18H,7-8H2,(H,19,23)(H2,20,21,24,27)