3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzothiopheno[3,2-d]pyrimidin-4-one Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=NC3=C(C2=O)SC4=CC=CC=C43)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=NC3=C(C2=O)SC4=CC=CC=C43)C)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c1-9-14(21(23)24)10(2)20(18-9)8-19-7-17-13-11-5-3-4-6-12(11)25-15(13)16(19)22/h3-7H,8H2,1-2H3