3-methyl-5-[(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C21H17N5OS2 MolecularWeight: 419.52258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC3=C(C(=O)N2CC=C)SC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC3=C(C(=O)N2CC=C)SC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5OS2/c1-3-10-25-20(27)19-17(9-11-28-19)23-21(25)29-13-18-16(12-22)14(2)24-26(18)15-7-5-4-6-8-15/h3-9,11H,1,10,13H2,2H3