3-methyl-5-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-16-19(14-24)21(28(26-16)17-8-3-2-4-9-17)15-31-23-25-20-11-6-5-10-18(20)22(30)27(23)12-7-13-29/h2-6,8-11,29H,7,12-13,15H2,1H3