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

Systemtic Name: 3-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-2-methyl-quinazolin-4-one Openeye Name: 3-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methyleneamino]-2-methyl-quinazolin-4-one CAS Name: 3-[(E)-[4-(2-hydroxyethylthio)-3-nitrophenyl]methylideneamino]-2-methyl-4-quinazolinone IUPAC Name: 3-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]-2-methylquinazolin-4-one Traditional Name: 3-[(E)-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]amino]-2-methyl-quinazolin-4-one Formula: C18H16N4O4S MolecularWeight: 384.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC(=C(C=C3)SCCO)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC(=C(C=C3)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-12-20-15-5-3-2-4-14(15)18(24)21(12)19-11-13-6-7-17(27-9-8-23)16(10-13)22(25)26/h2-7,10-11,23H,8-9H2,1H3/b19-11+