1-[[2,2-dimethyl-6-nitro-4-(2-oxidanylidenepyridin-1-yl)chromen-3-yl]methyl]-3-methyl-thiourea

Systemtic Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxidanylidenepyridin-1-yl)chromen-3-yl]methyl]-3-methyl-thiourea Openeye Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridyl)chromen-3-yl]methyl]-3-methyl-thiourea CAS Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)-1-benzopyran-3-yl]methyl]-3-methylthiourea IUPAC Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxopyridin-1-yl)chromen-3-yl]methyl]-3-methylthiourea Traditional Name: 1-[[4-(2-keto-1-pyridyl)-2,2-dimethyl-6-nitro-chromen-3-yl]methyl]-3-methyl-thiourea Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C=CC=CC3=O)CNC(=S)NC)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C=CC=CC3=O)CNC(=S)NC)C

InChI

InChI=1S/C19H20N4O4S/c1-19(2)14(11-21-18(28)20-3)17(22-9-5-4-6-16(22)24)13-10-12(23(25)26)7-8-15(13)27-19/h4-10H,11H2,1-3H3,(H2,20,21,28)