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

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-chloro-3-nitro-phenyl)-N,N-diethyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-chloro-3-nitrophenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-chloro-3-nitrophenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-chloro-3-nitro-phenyl)-N,N-diethyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C16H19ClN4O3S MolecularWeight: 382.86506

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)C(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C16H19ClN4O3S/c1-4-20(5-2)15(22)13-9(3)18-16(25)19-14(13)10-6-7-11(17)12(8-10)21(23)24/h6-8,14H,4-5H2,1-3H3,(H2,18,19,25)