4-(4-chloranyl-3-nitro-phenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-chloro-3-nitro-phenyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-chloro-3-nitrophenyl)-6-methyl-N-(5-methyl-3-isoxazolyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-chloro-3-nitrophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-chloro-3-nitro-phenyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C16H14ClN5O4S MolecularWeight: 407.83146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C16H14ClN5O4S/c1-7-5-12(21-26-7)19-15(23)13-8(2)18-16(27)20-14(13)9-3-4-10(17)11(6-9)22(24)25/h3-6,14H,1-2H3,(H2,18,20,27)(H,19,21,23)