1-methyl-5-[[(2-methyl-4-nitro-phenyl)amino]methylidene]-3-(2-methylprop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-methyl-5-[[(2-methyl-4-nitro-phenyl)amino]methylidene]-3-(2-methylprop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-methyl-3-(2-methylallyl)-5-[(2-methyl-4-nitro-anilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-methyl-5-[(2-methyl-4-nitroanilino)methylidene]-3-(2-methylprop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-methyl-5-[(2-methyl-4-nitroanilino)methylidene]-3-(2-methylprop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-methyl-3-(2-methylallyl)-5-[(2-methyl-4-nitro-anilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC=C2C(=O)N(C(=S)N(C2=O)CC(=C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC=C2C(=O)N(C(=S)N(C2=O)CC(=C)C)C

InChI

InChI=1S/C17H18N4O4S/c1-10(2)9-20-16(23)13(15(22)19(4)17(20)26)8-18-14-6-5-12(21(24)25)7-11(14)3/h5-8,18H,1,9H2,2-4H3