3-methyl-5-[(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[(4-oxo-3-thieno[3,2-d]pyrimidinyl)methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(4-ketothieno[3,2-d]pyrimidin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C18H13N5OS MolecularWeight: 347.39372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C=NC3=C(C2=O)SC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C=NC3=C(C2=O)SC=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H13N5OS/c1-12-14(9-19)16(23(21-12)13-5-3-2-4-6-13)10-22-11-20-15-7-8-25-17(15)18(22)24/h2-8,11H,10H2,1H3