2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-3-prop-2-enyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-3-prop-2-enylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]thieno[3,2-d]pyrimidin-4-one Formula: C20H17ClN4OS2 MolecularWeight: 428.95818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NC3=C(C(=O)N2CC=C)SC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CSC2=NC3=C(C(=O)N2CC=C)SC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4OS2/c1-3-10-24-19(26)17-16(9-11-27-17)22-20(24)28-12-15-13(2)23-25(18(15)21)14-7-5-4-6-8-14/h3-9,11H,1,10,12H2,2H3