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

Systemtic Name: 3-methyl-1-phenyl-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[(4-thieno[3,2-d]pyrimidinylthio)methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[(thieno[3,2-d]pyrimidin-4-ylthio)methyl]pyrazole-4-carbonitrile Formula: C18H13N5S2 MolecularWeight: 363.45932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC=NC3=C2SC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC=NC3=C2SC=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H13N5S2/c1-12-14(9-19)16(23(22-12)13-5-3-2-4-6-13)10-25-18-17-15(7-8-24-17)20-11-21-18/h2-8,11H,10H2,1H3