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

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)-6-methyl-N-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-chloro-3-nitro-phenyl)-6-methyl-N-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-chloro-3-nitrophenyl)-6-methyl-N-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-chloro-3-nitrophenyl)-6-methyl-N-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-chloro-3-nitro-phenyl)-6-methyl-N-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C18H14ClN5O5S MolecularWeight: 447.85226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O5S/c1-9-15(17(25)21-11-3-5-12(6-4-11)23(26)27)16(22-18(30)20-9)10-2-7-13(19)14(8-10)24(28)29/h2-8,16H,1H3,(H,21,25)(H2,20,22,30)