N,4-bis(3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N,4-bis(3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 6-isopropyl-N,4-bis(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N,4-bis(3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N,4-bis(3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 6-isopropyl-N,4-bis(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(NC(=S)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(NC(=S)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S/c1-11(2)17-16(19(26)21-13-6-4-8-15(10-13)25(29)30)18(23-20(31)22-17)12-5-3-7-14(9-12)24(27)28/h3-11,18H,1-2H3,(H,21,26)(H2,22,23,31)