2-[4-(2,4-dinitrophenoxy)phenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[4-(2,4-dinitrophenoxy)phenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[4-(2,4-dinitrophenoxy)phenyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(2,4-dinitrophenoxy)phenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[4-(2,4-dinitrophenoxy)phenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[4-(2,4-dinitrophenoxy)phenyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H18N4O6S MolecularWeight: 478.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC=C(C=C4)OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC=C(C=C4)OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O6S/c1-12-2-8-16-19(10-12)34-23-20(16)22(28)24-21(25-23)13-3-6-15(7-4-13)33-18-9-5-14(26(29)30)11-17(18)27(31)32/h3-7,9,11-12H,2,8,10H2,1H3,(H,24,25,28)