3-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]quinazolin-4-one

Systemtic Name: 3-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]quinazolin-4-one Openeye Name: 3-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methyleneamino]quinazolin-4-one CAS Name: 3-[(E)-[4-(2-hydroxyethylthio)-3-nitrophenyl]methylideneamino]-4-quinazolinone IUPAC Name: 3-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]quinazolin-4-one Traditional Name: 3-[(E)-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]amino]quinazolin-4-one Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)N=CC3=CC(=C(C=C3)SCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)/N=C/C3=CC(=C(C=C3)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c22-7-8-26-16-6-5-12(9-15(16)21(24)25)10-19-20-11-18-14-4-2-1-3-13(14)17(20)23/h1-6,9-11,22H,7-8H2/b19-10+