1-(4-chloranyl-2-nitro-phenyl)-3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)thiourea

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)thiourea Openeye Name: 1-(4-chloro-2-nitro-phenyl)-3-(2-methyl-4-oxo-quinazolin-3-yl)thiourea CAS Name: 1-(4-chloro-2-nitrophenyl)-3-(2-methyl-4-oxo-3-quinazolinyl)thiourea IUPAC Name: 1-(4-chloro-2-nitrophenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)thiourea Traditional Name: 1-(4-chloro-2-nitro-phenyl)-3-(4-keto-2-methyl-quinazolin-3-yl)thiourea Formula: C16H12ClN5O3S MolecularWeight: 389.81618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN5O3S/c1-9-18-12-5-3-2-4-11(12)15(23)21(9)20-16(26)19-13-7-6-10(17)8-14(13)22(24)25/h2-8H,1H3,(H2,19,20,26)